4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide

C13H15ClN4O — CID 61229321

IUPAC4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1cc(Cl)ccn1
InChIInChI=1S/C13H15ClN4O/c14-11-3-5-16-12(9-11)13(19)17-4-1-2-7-18-8-6-15-10-18/h3,5-6,8-10H,1-2,4,7H2,(H,17,19)
InChIKeyIBCNBELMDZPBPN-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.14
Rot. Bonds6

About 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide

4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (PubChem CID 61229321) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
PubChem CID61229321
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1cc(Cl)ccn1
InChIInChI=1S/C13H15ClN4O/c14-11-3-5-16-12(9-11)13(19)17-4-1-2-7-18-8-6-15-10-18/h3,5-6,8-10H,1-2,4,7H2,(H,17,19)
InChIKeyIBCNBELMDZPBPN-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.14
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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Related Compounds

2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 6619178
6-chloro-N-(3-imidazol-1-ylpropyl)-1,2,4-benzotriazine-3-carboxamide
CID 56730183
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (CID 61229321) is 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is O=C(NCCCCn1ccnc1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The InChIKey is IBCNBELMDZPBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-11-3-5-16-12(9-11)13(19)17-4-1-2-7-18-8-6-15-10-18/h3,5-6,8-10H,1-2,4,7H2,(H,17,19).
What are the key properties of 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 61229321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).