6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide

C18H22N2O3 — CID 95976852

IUPAC6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H](C)COCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H22N2O3/c1-13(11-23-12-15-6-4-3-5-7-15)10-19-17(21)16-9-8-14(2)20-18(16)22/h3-9,13H,10-12H2,1-2H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyDIQQAPBSPSEGTQ-ZDUSSCGKSA-N
MW314.38 g/mol
LogP2.27
Rot. Bonds7

About 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95976852) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95976852
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H](C)COCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H22N2O3/c1-13(11-23-12-15-6-4-3-5-7-15)10-19-17(21)16-9-8-14(2)20-18(16)22/h3-9,13H,10-12H2,1-2H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyDIQQAPBSPSEGTQ-ZDUSSCGKSA-N
XLogP2.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide (CID 95976852) is 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@H](C)COCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DIQQAPBSPSEGTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(11-23-12-15-6-4-3-5-7-15)10-19-17(21)16-9-8-14(2)20-18(16)22/h3-9,13H,10-12H2,1-2H3,(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).