N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide

C104H105F7N8O9 — CID 167568288

IUPACN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F
InChIInChI=1S/C27H29FN2O2.C26H26F2N2O2.C26H27FN2O3.C25H23F3N2O2/c1-5-6-27(32)30(4)25-15-13-23(17-24(25)28)21-9-11-22(12-10-21)26(31)16-14-20-8-7-18(2)29-19(20)3;1-4-5-26(32)30(3)23-13-10-21(16-22(23)27)19-6-8-20(9-7-19)24(31)14-11-18-12-15-25(28)29-17(18)2;1-4-5-26(31)29(2)23-13-12-21(16-22(23)27)19-8-10-20(11-9-19)24(30)14-6-18-7-15-25(32-3)28-17-18;1-3-4-24(32)30(2)21-12-9-19(15-20(21)26)16-5-7-17(8-6-16)22(31)13-10-18-11-14-23(27)29-25(18)28/h7-13,15,17H,5-6,14,16H2,1-4H3;6-10,12-13,15-16H,4-5,11,14H2,1-3H3;7-13,15-17H,4-6,14H2,1-3H3;5-9,11-12,14-15H,3-4,10,13H2,1-2H3
InChIKeyFOJRCWRWLKNSEN-UHFFFAOYSA-N
MW1744.02 g/mol
LogP23.22
Rot. Bonds33

About N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide (PubChem CID 167568288) has the molecular formula C104H105F7N8O9 and a molecular weight of 1744.02 g/mol. Its IUPAC name is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide
PubChem CID167568288
Molecular FormulaC104H105F7N8O9
Molecular Weight1744.02 g/mol
Exact Mass1742.79
IUPAC NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F
InChIInChI=1S/C27H29FN2O2.C26H26F2N2O2.C26H27FN2O3.C25H23F3N2O2/c1-5-6-27(32)30(4)25-15-13-23(17-24(25)28)21-9-11-22(12-10-21)26(31)16-14-20-8-7-18(2)29-19(20)3;1-4-5-26(32)30(3)23-13-10-21(16-22(23)27)19-6-8-20(9-7-19)24(31)14-11-18-12-15-25(28)29-17(18)2;1-4-5-26(31)29(2)23-13-12-21(16-22(23)27)19-8-10-20(11-9-19)24(30)14-6-18-7-15-25(32-3)28-17-18;1-3-4-24(32)30(2)21-12-9-19(15-20(21)26)16-5-7-17(8-6-16)22(31)13-10-18-11-14-23(27)29-25(18)28/h7-13,15,17H,5-6,14,16H2,1-4H3;6-10,12-13,15-16H,4-5,11,14H2,1-3H3;7-13,15-17H,4-6,14H2,1-3H3;5-9,11-12,14-15H,3-4,10,13H2,1-2H3
InChIKeyFOJRCWRWLKNSEN-UHFFFAOYSA-N
XLogP23.22
TPSA210.31 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds33
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.02
LogP ≤ 523.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide with MolForge

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Related Compounds

6-(2-methoxypyridin-3-yl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 53464874
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073133
1-[6-[4-[4-(4-Methylpiperazin-1-yl)benzoyl]piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073169
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073435
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[6-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073484
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073539
2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308255
2-[3-(4-acetylphenyl)phenyl]-N'-[2-[3-fluoro-5-(trifluoromethyl)phenyl]propanoyl]-N'-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide
CID 67308259
[(2R)-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methanone
CID 91042989
N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 122659666
[4-[ethyl-[2-[2-[[6-fluoro-2-(pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]-5-methyl-4-pyridinyl]ethyl]amino]phenyl]-[6-fluoro-3-[(5-methyl-2-pyridinyl)oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 123194167
3-[[2,6-Difluoro-4-(2-methoxy-4-pyridinyl)phenyl]methyl]-7-[[[4-[3,5-difluoro-4-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-methylamino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123779077

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide?
The IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide (CID 167568288) is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide.
What is the SMILES notation for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide?
The canonical SMILES for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide is CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F.
What is the InChIKey of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide?
The InChIKey is FOJRCWRWLKNSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2.C26H26F2N2O2.C26H27FN2O3.C25H23F3N2O2/c1-5-6-27(32)30(4)25-15-13-23(17-24(25)28)21-9-11-22(12-10-21)26(31)16-14-20-8-7-18(2)29-19(20)3;1-4-5-26(32)30(3)23-13-10-21(16-22(23)27)19-6-8-20(9-7-19)24(31)14-11-18-12-15-25(28)29-17(18)2;1-4-5-26(31)29(2)23-13-12-21(16-22(23)27)19-8-10-20(11-9-19)24(30)14-6-18-7-15-25(32-3)28-17-18;1-3-4-24(32)30(2)21-12-9-19(15-20(21)26)16-5-7-17(8-6-16)22(31)13-10-18-11-14-23(27)29-25(18)28/h7-13,15,17H,5-6,14,16H2,1-4H3;6-10,12-13,15-16H,4-5,11,14H2,1-3H3;7-13,15-17H,4-6,14H2,1-3H3;5-9,11-12,14-15H,3-4,10,13H2,1-2H3.
What are the key properties of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide?
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide has a molecular weight of 1744.02 g/mol, XLogP of 23.22, 33 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylbutanamide is sourced from PubChem (CID 167568288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).