N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C23H22N2O2 — CID 86956159

IUPACN-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC1CC1C(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-14-19(15)21(17-10-6-3-7-11-17)25-23(27)18-12-13-20(24-22(18)26)16-8-4-2-5-9-16/h2-13,15,19,21H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyXLLVVRRRPUAWJC-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.17
Rot. Bonds5

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

N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 86956159) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID86956159
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC1CC1C(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-14-19(15)21(17-10-6-3-7-11-17)25-23(27)18-12-13-20(24-22(18)26)16-8-4-2-5-9-16/h2-13,15,19,21H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyXLLVVRRRPUAWJC-UHFFFAOYSA-N
XLogP4.17
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956168
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956041
N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 138041610
N-(2-methylcyclohexyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497911
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-(3-methylpiperidin-4-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120553539
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050
2-oxo-6-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95975984
methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
N-(2-methylpiperidin-3-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120574115
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55933470
N-(2-methylpiperidin-3-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
CID 120574114

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 86956159) is N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is CC1CC1C(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is XLLVVRRRPUAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-14-19(15)21(17-10-6-3-7-11-17)25-23(27)18-12-13-20(24-22(18)26)16-8-4-2-5-9-16/h2-13,15,19,21H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86956159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).