N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride

C15H16Cl2N4O — CID 138544122

IUPACN-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride
SMILESCl.Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)nc1
InChIInChI=1S/C15H15ClN4O.ClH/c16-13-5-2-10(8-19-13)14(21)20-15(6-1-7-15)12-4-3-11(17)9-18-12;/h2-5,8-9H,1,6-7,17H2,(H,20,21);1H
InChIKeyREYNAFCZJDXGNG-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.94
Rot. Bonds3

About N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride

N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride (PubChem CID 138544122) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride
PubChem CID138544122
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride
SMILESCl.Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)nc1
InChIInChI=1S/C15H15ClN4O.ClH/c16-13-5-2-10(8-19-13)14(21)20-15(6-1-7-15)12-4-3-11(17)9-18-12;/h2-5,8-9H,1,6-7,17H2,(H,20,21);1H
InChIKeyREYNAFCZJDXGNG-UHFFFAOYSA-N
XLogP2.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
CID 117062757
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888056
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760527
[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid
CID 138544182
1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
6-(1-methylcyclobutyl)pyridin-3-amine
CID 155476292
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone
CID 170152064
6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide
CID 79101544

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride (CID 138544122) is N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride is Cl.Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)nc1.
What is the InChIKey of N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride?
The InChIKey is REYNAFCZJDXGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O.ClH/c16-13-5-2-10(8-19-13)14(21)20-15(6-1-7-15)12-4-3-11(17)9-18-12;/h2-5,8-9H,1,6-7,17H2,(H,20,21);1H.
What are the key properties of N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride?
N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride has a molecular weight of 339.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-2-pyridinyl)cyclobutyl]-6-chloropyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 138544122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).