N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide

C27H22FN3O3 — CID 53119399

IUPACN-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2)c1
InChIInChI=1S/C27H22FN3O3/c1-18-4-2-5-20(16-18)25(32)30-22-11-13-23(14-12-22)31-15-3-6-24(27(31)34)26(33)29-17-19-7-9-21(28)10-8-19/h2-16H,17H2,1H3,(H,29,33)(H,30,32)
InChIKeySYNDNEGAZSSKSC-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.47
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 53119399) has the molecular formula C27H22FN3O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID53119399
Molecular FormulaC27H22FN3O3
Molecular Weight455.49 g/mol
Exact Mass455.16
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2)c1
InChIInChI=1S/C27H22FN3O3/c1-18-4-2-5-20(16-18)25(32)30-22-11-13-23(14-12-22)31-15-3-6-24(27(31)34)26(33)29-17-19-7-9-21(28)10-8-19/h2-16H,17H2,1H3,(H,29,33)(H,30,32)
InChIKeySYNDNEGAZSSKSC-UHFFFAOYSA-N
XLogP4.47
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
N-butan-2-yl-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119324
1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119403
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 53119378
N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635156

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide (CID 53119399) is N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide is Cc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is SYNDNEGAZSSKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O3/c1-18-4-2-5-20(16-18)25(32)30-22-11-13-23(14-12-22)31-15-3-6-24(27(31)34)26(33)29-17-19-7-9-21(28)10-8-19/h2-16H,17H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53119399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).