2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide

C14H18ClN5O — CID 62173721

IUPAC2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCCn2ccnc2)cc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-16-13-9-11(8-12(15)19-13)14(21)18-4-2-3-6-20-7-5-17-10-20/h5,7-10H,2-4,6H2,1H3,(H,16,19)(H,18,21)
InChIKeyFTAZFAFDELGYHJ-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.18
Rot. Bonds7

About 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62173721) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID62173721
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCCn2ccnc2)cc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-16-13-9-11(8-12(15)19-13)14(21)18-4-2-3-6-20-7-5-17-10-20/h5,7-10H,2-4,6H2,1H3,(H,16,19)(H,18,21)
InChIKeyFTAZFAFDELGYHJ-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 62242563
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide (CID 62173721) is 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCCCn2ccnc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is FTAZFAFDELGYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-16-13-9-11(8-12(15)19-13)14(21)18-4-2-3-6-20-7-5-17-10-20/h5,7-10H,2-4,6H2,1H3,(H,16,19)(H,18,21).
What are the key properties of 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62173721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).