2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C111H102BrF10N13O7 — CID 158028769

IUPAC2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESNc1cc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccn1.Nc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.O=C(NCCC(Oc1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc[nH]c(=O)c1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C27H29F2N3O2.C21H17BrF2N2O.2C21H19F2N3O.C21H18F2N2O2/c28-22-6-3-20(4-7-22)26(34-25-11-8-23(29)9-12-25)13-15-30-27(33)21-5-10-24(31-19-21)14-18-32-16-1-2-17-32;22-20-13-16(9-11-25-20)21(27)26-12-10-19(14-1-5-17(23)6-2-14)15-3-7-18(24)8-4-15;22-17-6-1-14(2-7-17)19(15-3-8-18(23)9-4-15)11-12-25-21(27)16-5-10-20(24)26-13-16;22-17-5-1-14(2-6-17)19(15-3-7-18(23)8-4-15)10-12-26-21(27)16-9-11-25-20(24)13-16;22-17-5-1-14(2-6-17)19(15-3-7-18(23)8-4-15)10-12-25-21(27)16-9-11-24-20(26)13-16/h3-12,19,26H,1-2,13-18H2,(H,30,33);1-9,11,13,19H,10,12H2,(H,26,27);1-10,13,19H,11-12H2,(H2,24,26)(H,25,27);1-9,11,13,19H,10,12H2,(H2,24,25)(H,26,27);1-9,11,13,19H,10,12H2,(H,24,26)(H,25,27)
InChIKeyFGXUGINVLVWXFL-UHFFFAOYSA-N
MW2000.00 g/mol
LogP21.41
Rot. Bonds34

About 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 158028769) has the molecular formula C111H102BrF10N13O7 and a molecular weight of 2000.00 g/mol. Its IUPAC name is 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID158028769
Molecular FormulaC111H102BrF10N13O7
Molecular Weight2000.00 g/mol
Exact Mass1997.70
IUPAC Name2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESNc1cc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccn1.Nc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.O=C(NCCC(Oc1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc[nH]c(=O)c1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C27H29F2N3O2.C21H17BrF2N2O.2C21H19F2N3O.C21H18F2N2O2/c28-22-6-3-20(4-7-22)26(34-25-11-8-23(29)9-12-25)13-15-30-27(33)21-5-10-24(31-19-21)14-18-32-16-1-2-17-32;22-20-13-16(9-11-25-20)21(27)26-12-10-19(14-1-5-17(23)6-2-14)15-3-7-18(24)8-4-15;22-17-6-1-14(2-7-17)19(15-3-8-18(23)9-4-15)11-12-25-21(27)16-5-10-20(24)26-13-16;22-17-5-1-14(2-6-17)19(15-3-7-18(23)8-4-15)10-12-26-21(27)16-9-11-25-20(24)13-16;22-17-5-1-14(2-6-17)19(15-3-7-18(23)8-4-15)10-12-25-21(27)16-9-11-24-20(26)13-16/h3-12,19,26H,1-2,13-18H2,(H,30,33);1-9,11,13,19H,10,12H2,(H,26,27);1-10,13,19H,11-12H2,(H2,24,26)(H,25,27);1-9,11,13,19H,10,12H2,(H2,24,25)(H,26,27);1-9,11,13,19H,10,12H2,(H,24,26)(H,25,27)
InChIKeyFGXUGINVLVWXFL-UHFFFAOYSA-N
XLogP21.41
TPSA294.43 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002000.00
LogP ≤ 521.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158085111
6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide;[4-[6-[3-(4-fluorophenyl)propyl]-3-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;4-phenyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]butan-2-one
CID 160524362
6-(3-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 160651800
5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 162183155
N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide
CID 69051716
N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);1-fluoro-4-(4-methylpentyl)benzene;(4-fluorophenyl) 3-methylbutanoate;methane;3-methylbutyl 3-methylbutanoate;methyl 3-methylbutanoate;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methylpentylbenzene;3-(4-methylpentyl)pyridine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3-methylbutanoate
CID 157056796
2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine
CID 158248448
N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide
CID 158655242
1-amino-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-7-(3-fluorophenyl)isoquinoline-4-carboxamide;1-amino-7-(3-fluorophenyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]isoquinoline-4-carboxamide;1-amino-7-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]isoquinoline-4-carboxamide
CID 160056678
3-Bromo-2,6-bis(phenylmethoxy)pyridine;methyl 2-aminopyridine-3-carboxylate;methyl 2-[[2,6-bis(phenylmethoxy)-3-pyridinyl]methyl]pyridine-3-carboxylate;methyl 2-[(2,6-dioxopiperidin-3-yl)methyl]pyridine-3-carboxylate
CID 160478560
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
CID 167550311
N-[[4-[5-[3-(6-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-fluorophenyl]methyl]-N-methylpropanamide;N-[[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-3-fluorophenyl]methyl]-N-methylpropanamide;N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide;N-[[3-fluoro-4-[5-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide;N-[[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide;N-[[3-fluoro-4-[5-[3-(6-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide
CID 167561728

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 158028769) is 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is Nc1cc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)ccn1.Nc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.O=C(NCCC(Oc1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc[nH]c(=O)c1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(Br)c1.
What is the InChIKey of 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is FGXUGINVLVWXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O2.C21H17BrF2N2O.2C21H19F2N3O.C21H18F2N2O2/c28-22-6-3-20(4-7-22)26(34-25-11-8-23(29)9-12-25)13-15-30-27(33)21-5-10-24(31-19-21)14-18-32-16-1-2-17-32;22-20-13-16(9-11-25-20)21(27)26-12-10-19(14-1-5-17(23)6-2-14)15-3-7-18(24)8-4-15;22-17-6-1-14(2-7-17)19(15-3-8-18(23)9-4-15)11-12-25-21(27)16-5-10-20(24)26-13-16;22-17-5-1-14(2-6-17)19(15-3-7-18(23)8-4-15)10-12-26-21(27)16-9-11-25-20(24)13-16;22-17-5-1-14(2-6-17)19(15-3-7-18(23)8-4-15)10-12-25-21(27)16-9-11-24-20(26)13-16/h3-12,19,26H,1-2,13-18H2,(H,30,33);1-9,11,13,19H,10,12H2,(H,26,27);1-10,13,19H,11-12H2,(H2,24,26)(H,25,27);1-9,11,13,19H,10,12H2,(H2,24,25)(H,26,27);1-9,11,13,19H,10,12H2,(H,24,26)(H,25,27).
What are the key properties of 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 2000.00 g/mol, XLogP of 21.41, 34 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158028769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).