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

C15H20N4O2 — CID 131890612

IUPAC6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-11(2)14-16-8-10-19(14)9-4-7-17-15(21)12-5-3-6-13(20)18-12/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMQDVOKQDCGMKTD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.51
Rot. Bonds6

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

6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide (PubChem CID 131890612) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
PubChem CID131890612
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-11(2)14-16-8-10-19(14)9-4-7-17-15(21)12-5-3-6-13(20)18-12/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMQDVOKQDCGMKTD-UHFFFAOYSA-N
XLogP1.51
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 118795334
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 56868319
N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
CID 106129299
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848
6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
CID 107261519
6-(3-ethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758963
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 91793683
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261784
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261496

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide (CID 131890612) is 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide is CC(C)c1nccn1CCCNC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
The InChIKey is MQDVOKQDCGMKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)14-16-8-10-19(14)9-4-7-17-15(21)12-5-3-6-13(20)18-12/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide?
6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 131890612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).