N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C14H18N4O2 — CID 126450123

IUPACN-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC[C@H](C)n2ccnc2)c(C)[nH]1
InChIInChI=1S/C14H18N4O2/c1-9-6-12(19)13(11(3)17-9)14(20)16-7-10(2)18-5-4-15-8-18/h4-6,8,10H,7H2,1-3H3,(H,16,20)(H,17,19)/t10-/m0/s1
InChIKeyDCOCMHGBGQGCKU-JTQLQIEISA-N
MW274.32 g/mol
LogP1.18
Rot. Bonds4

About N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 126450123) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID126450123
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC[C@H](C)n2ccnc2)c(C)[nH]1
InChIInChI=1S/C14H18N4O2/c1-9-6-12(19)13(11(3)17-9)14(20)16-7-10(2)18-5-4-15-8-18/h4-6,8,10H,7H2,1-3H3,(H,16,20)(H,17,19)/t10-/m0/s1
InChIKeyDCOCMHGBGQGCKU-JTQLQIEISA-N
XLogP1.18
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-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 N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 126450123) is N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC[C@H](C)n2ccnc2)c(C)[nH]1.
What is the InChIKey of N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DCOCMHGBGQGCKU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-6-12(19)13(11(3)17-9)14(20)16-7-10(2)18-5-4-15-8-18/h4-6,8,10H,7H2,1-3H3,(H,16,20)(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126450123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).