2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide

C15H16N6O — CID 87011058

IUPAC2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C15H16N6O/c22-15(18-4-1-8-21-9-2-5-19-21)13-3-6-17-14(11-13)20-10-7-16-12-20/h2-3,5-7,9-12H,1,4,8H2,(H,18,22)
InChIKeyBJASODZJPHWNND-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.28
Rot. Bonds6

About 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide

2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 87011058) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID87011058
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C15H16N6O/c22-15(18-4-1-8-21-9-2-5-19-21)13-3-6-17-14(11-13)20-10-7-16-12-20/h2-3,5-7,9-12H,1,4,8H2,(H,18,22)
InChIKeyBJASODZJPHWNND-UHFFFAOYSA-N
XLogP1.28
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
2-imidazol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 75479337
2-imidazol-1-yl-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 51089952
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide (CID 87011058) is 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide is O=C(NCCCn1cccn1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is BJASODZJPHWNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c22-15(18-4-1-8-21-9-2-5-19-21)13-3-6-17-14(11-13)20-10-7-16-12-20/h2-3,5-7,9-12H,1,4,8H2,(H,18,22).
What are the key properties of 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide?
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 87011058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).