1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C29H23F2N3O3 — CID 149385628

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cnc2c(c1)C(c1cccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c1)=CC2
InChIInChI=1S/C29H23F2N3O3/c1-37-21-14-24-22(8-10-27(24)32-16-21)20-5-2-4-18(12-20)15-33-28(35)23-6-3-11-34(29(23)36)17-19-7-9-25(30)26(31)13-19/h2-9,11-14,16H,10,15,17H2,1H3,(H,33,35)
InChIKeyYMNDRNNBLSRMPF-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.50
Rot. Bonds7

About 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 149385628) has the molecular formula C29H23F2N3O3 and a molecular weight of 499.52 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID149385628
Molecular FormulaC29H23F2N3O3
Molecular Weight499.52 g/mol
Exact Mass499.17
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cnc2c(c1)C(c1cccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c1)=CC2
InChIInChI=1S/C29H23F2N3O3/c1-37-21-14-24-22(8-10-27(24)32-16-21)20-5-2-4-18(12-20)15-33-28(35)23-6-3-11-34(29(23)36)17-19-7-9-25(30)26(31)13-19/h2-9,11-14,16H,10,15,17H2,1H3,(H,33,35)
InChIKeyYMNDRNNBLSRMPF-UHFFFAOYSA-N
XLogP4.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777
4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 147339914
1-[(3,4-difluorophenyl)methyl]-N-[[3-(5-methoxy-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 70881503
[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]boronic acid
CID 59362353
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
CID 67477836
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
N-[[3-[1-(benzenesulfonyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 59362414
1-[(3,4-difluorophenyl)methyl]-N-[[3-[4-ethenyl-5-(ethenylsulfanylamino)-1H-pyrrol-3-yl]phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 163574993
N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 67478051
3-[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 159469347
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methanamine;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 161259163

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 149385628) is 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is COc1cnc2c(c1)C(c1cccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c1)=CC2.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is YMNDRNNBLSRMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N3O3/c1-37-21-14-24-22(8-10-27(24)32-16-21)20-5-2-4-18(12-20)15-33-28(35)23-6-3-11-34(29(23)36)17-19-7-9-25(30)26(31)13-19/h2-9,11-14,16H,10,15,17H2,1H3,(H,33,35).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 149385628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).