2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide

C14H18N4O2 — CID 77094489

IUPAC2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(C)[nH]c(=O)c1)c1ncc(C)[nH]1
InChIInChI=1S/C14H18N4O2/c1-4-11(13-15-7-9(3)17-13)18-14(20)10-5-8(2)16-12(19)6-10/h5-7,11H,4H2,1-3H3,(H,15,17)(H,16,19)(H,18,20)
InChIKeyPUAQARBMFZGRFK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds4

About 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide

2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 77094489) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID77094489
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(C)[nH]c(=O)c1)c1ncc(C)[nH]1
InChIInChI=1S/C14H18N4O2/c1-4-11(13-15-7-9(3)17-13)18-14(20)10-5-8(2)16-12(19)6-10/h5-7,11H,4H2,1-3H3,(H,15,17)(H,16,19)(H,18,20)
InChIKeyPUAQARBMFZGRFK-UHFFFAOYSA-N
XLogP1.60
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide (CID 77094489) is 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide is CCC(NC(=O)c1cc(C)[nH]c(=O)c1)c1ncc(C)[nH]1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is PUAQARBMFZGRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-11(13-15-7-9(3)17-13)18-14(20)10-5-8(2)16-12(19)6-10/h5-7,11H,4H2,1-3H3,(H,15,17)(H,16,19)(H,18,20).
What are the key properties of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide?
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 77094489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).