1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide

C25H21F2N3O3 — CID 67477836

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccnc2ccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIInChI=1S/C25H21F2N3O3/c1-2-33-23-9-10-28-22-8-6-16(12-19(22)23)14-29-24(31)18-4-3-11-30(25(18)32)15-17-5-7-20(26)21(27)13-17/h3-13H,2,14-15H2,1H3,(H,29,31)
InChIKeyLDUCHLXMCGINKU-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.05
Rot. Bonds7

About 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 67477836) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID67477836
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccnc2ccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIInChI=1S/C25H21F2N3O3/c1-2-33-23-9-10-28-22-8-6-16(12-19(22)23)14-29-24(31)18-4-3-11-30(25(18)32)15-17-5-7-20(26)21(27)13-17/h3-13H,2,14-15H2,1H3,(H,29,31)
InChIKeyLDUCHLXMCGINKU-UHFFFAOYSA-N
XLogP4.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(4-propan-2-yloxyquinolin-6-yl)prop-2-ynyl]pyridine-3-carboxamide
CID 67476235
1-[(3,4-difluorophenyl)methyl]-N-[3-[4-[2-(dimethylamino)ethoxy]quinolin-6-yl]prop-2-ynyl]-2-oxopyridine-3-carboxamide
CID 67476237
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(4-piperidin-4-yloxyquinolin-6-yl)prop-2-ynyl]pyridine-3-carboxamide
CID 67476253
[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]boronic acid
CID 59362353
N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 67478051
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777
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
1-[(3,4-difluorophenyl)methyl]-N-[[3-(3-methoxy-7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 149385628
N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 59362735
1-[(3,4-difluorophenyl)methyl]-N-[[4-[3-(dimethylamino)propylamino]quinolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477954
1-[(3,4-difluorophenyl)methyl]-N-[[4-[3-(dimethylamino)propoxy]quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477819
1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477894

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide (CID 67477836) is 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide is CCOc1ccnc2ccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is LDUCHLXMCGINKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c1-2-33-23-9-10-28-22-8-6-16(12-19(22)23)14-29-24(31)18-4-3-11-30(25(18)32)15-17-5-7-20(26)21(27)13-17/h3-13H,2,14-15H2,1H3,(H,29,31).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 4.05, 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-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 67477836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).