N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C23H24N2O3 — CID 51591493

IUPACN-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1ccc(C(C)C)[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-15(2)19-14-13-18(22(26)24-19)23(27)25-21(16-9-5-4-6-10-16)17-11-7-8-12-20(17)28-3/h4-15,21H,1-3H3,(H,24,26)(H,25,27)/t21-/m0/s1
InChIKeyMMYXCIIZOMWZLF-NRFANRHFSA-N
MW376.46 g/mol
LogP4.03
Rot. Bonds6

About N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 51591493) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID51591493
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1ccc(C(C)C)[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-15(2)19-14-13-18(22(26)24-19)23(27)25-21(16-9-5-4-6-10-16)17-11-7-8-12-20(17)28-3/h4-15,21H,1-3H3,(H,24,26)(H,25,27)/t21-/m0/s1
InChIKeyMMYXCIIZOMWZLF-NRFANRHFSA-N
XLogP4.03
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 51591493) is N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is COc1ccccc1[C@@H](NC(=O)c1ccc(C(C)C)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is MMYXCIIZOMWZLF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(2)19-14-13-18(22(26)24-19)23(27)25-21(16-9-5-4-6-10-16)17-11-7-8-12-20(17)28-3/h4-15,21H,1-3H3,(H,24,26)(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51591493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).