N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C112H119F10N9O9 — CID 159510176

IUPACN-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCC(C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1.O=C(CC1CCOCC1)NCCC(c1ccc(F)cc1)c1ccc(F)cc1.O=C(NCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCOC1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C27H29F2N3O.C22H26F2N2O2.C22H25F2NO2.C21H18F2N2O2.C20H21F2NO2/c28-23-8-3-20(4-9-23)26(21-5-10-24(29)11-6-21)13-15-30-27(33)22-7-12-25(31-19-22)14-18-32-16-1-2-17-32;1-16(26-12-14-28-15-13-26)22(27)25-11-10-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18;23-19-5-1-17(2-6-19)21(18-3-7-20(24)8-4-18)9-12-25-22(26)15-16-10-13-27-14-11-16;22-18-7-3-16(4-8-18)21(27,17-5-9-19(23)10-6-17)11-13-25-20(26)15-2-1-12-24-14-15;21-17-5-1-14(2-6-17)19(15-3-7-18(22)8-4-15)9-11-23-20(24)16-10-12-25-13-16/h3-12,19,26H,1-2,13-18H2,(H,30,33);2-9,16,21H,10-15H2,1H3,(H,25,27);1-8,16,21H,9-15H2,(H,25,26);1-10,12,14,27H,11,13H2,(H,25,26);1-8,16,19H,9-13H2,(H,23,24)
InChIKeyMAMMNWRPCWWFMO-UHFFFAOYSA-N
MW1925.22 g/mol
LogP19.75
Rot. Bonds35

About N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 159510176) has the molecular formula C112H119F10N9O9 and a molecular weight of 1925.22 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID159510176
Molecular FormulaC112H119F10N9O9
Molecular Weight1925.22 g/mol
Exact Mass1923.90
IUPAC NameN-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCC(C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1.O=C(CC1CCOCC1)NCCC(c1ccc(F)cc1)c1ccc(F)cc1.O=C(NCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCOC1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C27H29F2N3O.C22H26F2N2O2.C22H25F2NO2.C21H18F2N2O2.C20H21F2NO2/c28-23-8-3-20(4-9-23)26(21-5-10-24(29)11-6-21)13-15-30-27(33)22-7-12-25(31-19-22)14-18-32-16-1-2-17-32;1-16(26-12-14-28-15-13-26)22(27)25-11-10-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18;23-19-5-1-17(2-6-19)21(18-3-7-20(24)8-4-18)9-12-25-22(26)15-16-10-13-27-14-11-16;22-18-7-3-16(4-8-18)21(27,17-5-9-19(23)10-6-17)11-13-25-20(26)15-2-1-12-24-14-15;21-17-5-1-14(2-6-17)19(15-3-7-18(22)8-4-15)9-11-23-20(24)16-10-12-25-13-16/h3-12,19,26H,1-2,13-18H2,(H,30,33);2-9,16,21H,10-15H2,1H3,(H,25,27);1-8,16,21H,9-15H2,(H,25,26);1-10,12,14,27H,11,13H2,(H,25,26);1-8,16,19H,9-13H2,(H,23,24)
InChIKeyMAMMNWRPCWWFMO-UHFFFAOYSA-N
XLogP19.75
TPSA225.68 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001925.22
LogP ≤ 519.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

tert-butyl (2S,3R)-2-[3-[5-carbamoyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propanoyl]-3-hydroxypyrrolidine-1-carboxylate;4-[3-[(2S,3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-oxopropyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
CID 157720800
bis(tert-butyl (2S)-1-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]pyrrolidine-2-carboxylate);3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
CID 158043333
tert-butyl (2S)-1-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]pyrrolidine-2-carboxylate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid;(2S)-1-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 159284030
4-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;[1-[2,2-difluoro-2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrrol-2-yl]acetyl]piperidin-4-yl]-methylborinic acid;N-(3,4-difluorophenyl)-4-fluoro-3-[1-hydroxy-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]benzamide
CID 163531875
methyl 6-formylpyridine-3-carboxylate;methyl 6-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-3-carboxylate;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-3-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 165073859
(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(3-amino-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;3-amino-4-fluorobenzoic acid
CID 157864548
2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide
CID 158118607
bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate
CID 159536200
3-(2,3-difluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid;3-(2,3-difluorophenyl)-5-(5-methyl-2-pyridinyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 160548977
N-[4,4-bis(4-fluorophenyl)butyl]pyridine-3-carboxamide;N-[4,4-bis(4-fluorophenyl)butyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]oxane-4-carboxamide;N-(3,3-diphenylpropyl)cyclohexanecarboxamide
CID 161416786
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[2-(dimethylamino)ethylamino]-3-hydroxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylmethoxypropan-2-yl]amino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(2-phenylpropan-2-ylamino)butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(pyridin-3-ylmethylamino)butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 173210532
[6-[5-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]-2-pyridinyl]-3-pyridinyl]-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methanone
CID 177454047

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 159510176) is N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is CC(C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1.O=C(CC1CCOCC1)NCCC(c1ccc(F)cc1)c1ccc(F)cc1.O=C(NCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCOC1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(CCN2CCCC2)nc1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is MAMMNWRPCWWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O.C22H26F2N2O2.C22H25F2NO2.C21H18F2N2O2.C20H21F2NO2/c28-23-8-3-20(4-9-23)26(21-5-10-24(29)11-6-21)13-15-30-27(33)22-7-12-25(31-19-22)14-18-32-16-1-2-17-32;1-16(26-12-14-28-15-13-26)22(27)25-11-10-21(17-2-6-19(23)7-3-17)18-4-8-20(24)9-5-18;23-19-5-1-17(2-6-19)21(18-3-7-20(24)8-4-18)9-12-25-22(26)15-16-10-13-27-14-11-16;22-18-7-3-16(4-8-18)21(27,17-5-9-19(23)10-6-17)11-13-25-20(26)15-2-1-12-24-14-15;21-17-5-1-14(2-6-17)19(15-3-7-18(22)8-4-15)9-11-23-20(24)16-10-12-25-13-16/h3-12,19,26H,1-2,13-18H2,(H,30,33);2-9,16,21H,10-15H2,1H3,(H,25,27);1-8,16,21H,9-15H2,(H,25,26);1-10,12,14,27H,11,13H2,(H,25,26);1-8,16,19H,9-13H2,(H,23,24).
What are the key properties of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 1925.22 g/mol, XLogP of 19.75, 35 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 159510176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).