N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide

C12H14N4O — CID 664931

IUPACN-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccnc1
InChIInChI=1S/C12H14N4O/c17-12(11-3-1-4-13-9-11)15-5-2-7-16-8-6-14-10-16/h1,3-4,6,8-10H,2,5,7H2,(H,15,17)
InChIKeyGXQHYNFPABEBQC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.10
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 664931) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID664931
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccnc1
InChIInChI=1S/C12H14N4O/c17-12(11-3-1-4-13-9-11)15-5-2-7-16-8-6-14-10-16/h1,3-4,6,8-10H,2,5,7H2,(H,15,17)
InChIKeyGXQHYNFPABEBQC-UHFFFAOYSA-N
XLogP1.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.10
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)pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide (CID 664931) is N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCn1ccnc1)c1cccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is GXQHYNFPABEBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(11-3-1-4-13-9-11)15-5-2-7-16-8-6-14-10-16/h1,3-4,6,8-10H,2,5,7H2,(H,15,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.10, 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)pyridine-3-carboxamide is sourced from PubChem (CID 664931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).