N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide

C20H17FN2O2 — CID 94044299

IUPACN-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1=O
InChIInChI=1S/C20H17FN2O2/c1-23-12-11-16(13-18(23)24)20(25)22-19(14-5-3-2-4-6-14)15-7-9-17(21)10-8-15/h2-13,19H,1H3,(H,22,25)/t19-/m0/s1
InChIKeyHDTQDPILVBNZPQ-IBGZPJMESA-N
MW336.37 g/mol
LogP3.04
Rot. Bonds4

About N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 94044299) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID94044299
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC NameN-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1=O
InChIInChI=1S/C20H17FN2O2/c1-23-12-11-16(13-18(23)24)20(25)22-19(14-5-3-2-4-6-14)15-7-9-17(21)10-8-15/h2-13,19H,1H3,(H,22,25)/t19-/m0/s1
InChIKeyHDTQDPILVBNZPQ-IBGZPJMESA-N
XLogP3.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460706
N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001737
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112816610
1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide
CID 95301985
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 43357855

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 94044299) is N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1=O.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is HDTQDPILVBNZPQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-23-12-11-16(13-18(23)24)20(25)22-19(14-5-3-2-4-6-14)15-7-9-17(21)10-8-15/h2-13,19H,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 94044299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).