N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide

C13H16N4O2 — CID 77090531

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)[nH]c1)c1ncc(C)[nH]1
InChIInChI=1S/C13H16N4O2/c1-3-10(12-15-6-8(2)16-12)17-13(19)9-4-5-11(18)14-7-9/h4-7,10H,3H2,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyMSWYDZSYMRLOBM-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 77090531) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID77090531
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)[nH]c1)c1ncc(C)[nH]1
InChIInChI=1S/C13H16N4O2/c1-3-10(12-15-6-8(2)16-12)17-13(19)9-4-5-11(18)14-7-9/h4-7,10H,3H2,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyMSWYDZSYMRLOBM-UHFFFAOYSA-N
XLogP1.29
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide (CID 77090531) is N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide is CCC(NC(=O)c1ccc(=O)[nH]c1)c1ncc(C)[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MSWYDZSYMRLOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-10(12-15-6-8(2)16-12)17-13(19)9-4-5-11(18)14-7-9/h4-7,10H,3H2,1-2H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 77090531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).