N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

C12H14N4O — CID 2933136

IUPACN-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccncc1
InChIInChI=1S/C12H14N4O/c17-12(11-2-5-13-6-3-11)15-4-1-8-16-9-7-14-10-16/h2-3,5-7,9-10H,1,4,8H2,(H,15,17)
InChIKeyVQKYDFJMHSHZLW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.10
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 2933136) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID2933136
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccncc1
InChIInChI=1S/C12H14N4O/c17-12(11-2-5-13-6-3-11)15-4-1-8-16-9-7-14-10-16/h2-3,5-7,9-10H,1,4,8H2,(H,15,17)
InChIKeyVQKYDFJMHSHZLW-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-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (CID 2933136) is N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is O=C(NCCCn1ccnc1)c1ccncc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is VQKYDFJMHSHZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(11-2-5-13-6-3-11)15-4-1-8-16-9-7-14-10-16/h2-3,5-7,9-10H,1,4,8H2,(H,15,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
N-(3-imidazol-1-ylpropyl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 2933136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).