N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide

C13H16N4O — CID 2939932

IUPACN-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C13H16N4O/c1-11-3-4-12(9-16-11)13(18)15-5-2-7-17-8-6-14-10-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,15,18)
InChIKeyMOQWQLTULUCVEK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.41
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide (PubChem CID 2939932) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
PubChem CID2939932
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C13H16N4O/c1-11-3-4-12(9-16-11)13(18)15-5-2-7-17-8-6-14-10-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,15,18)
InChIKeyMOQWQLTULUCVEK-UHFFFAOYSA-N
XLogP1.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide (CID 2939932) is N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCn2ccnc2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The InChIKey is MOQWQLTULUCVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-11-3-4-12(9-16-11)13(18)15-5-2-7-17-8-6-14-10-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,15,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 2939932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).