6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide

C21H19FN2O2 — CID 155571779

IUPAC6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccc(CF)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C21H19FN2O2/c1-14-6-5-9-16(12-14)19(15-7-3-2-4-8-15)24-21(26)18-11-10-17(13-22)23-20(18)25/h2-12,19H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyMOURPKIOMVBQIV-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.67
Rot. Bonds5

About 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide

6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 155571779) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID155571779
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccc(CF)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C21H19FN2O2/c1-14-6-5-9-16(12-14)19(15-7-3-2-4-8-15)24-21(26)18-11-10-17(13-22)23-20(18)25/h2-12,19H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyMOURPKIOMVBQIV-UHFFFAOYSA-N
XLogP3.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297
6-[[benzyl(methyl)amino]methyl]-N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45228500
2-(4-fluorophenyl)-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 100750032
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 26325914
N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155571812
N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464383
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
CID 7930966
2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464418
N-[bis(4-hydroxyphenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464294
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
N-[1-(2-chlorophenyl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757705

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 155571779) is 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(C(NC(=O)c2ccc(CF)[nH]c2=O)c2ccccc2)c1.
What is the InChIKey of 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MOURPKIOMVBQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-14-6-5-9-16(12-14)19(15-7-3-2-4-8-15)24-21(26)18-11-10-17(13-22)23-20(18)25/h2-12,19H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide?
6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155571779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).