6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide

C16H22N4O2 — CID 118795334

IUPAC6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCCCn2ccnc2C(C)C)[nH]1
InChIInChI=1S/C16H22N4O2/c1-11(2)15-17-6-8-20(15)7-4-5-18-16(22)14-10-13(21)9-12(3)19-14/h6,8-11H,4-5,7H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyPIYKCUUWAMWGFE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.82
Rot. Bonds6

About 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide

6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide (PubChem CID 118795334) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
PubChem CID118795334
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCCCn2ccnc2C(C)C)[nH]1
InChIInChI=1S/C16H22N4O2/c1-11(2)15-17-6-8-20(15)7-4-5-18-16(22)14-10-13(21)9-12(3)19-14/h6,8-11H,4-5,7H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyPIYKCUUWAMWGFE-UHFFFAOYSA-N
XLogP1.82
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 131890612
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 56868319
6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56754487
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 172663868
3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide
CID 91762642
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758064
6-(3-ethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758963
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[3-(2-propan-2-ylimidazol-1-yl)propyl]urea
CID 72933036

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide (CID 118795334) is 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NCCCn2ccnc2C(C)C)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
The InChIKey is PIYKCUUWAMWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)15-17-6-8-20(15)7-4-5-18-16(22)14-10-13(21)9-12(3)19-14/h6,8-11H,4-5,7H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118795334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).