2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide

C15H23ClN4O — CID 63317161

IUPAC2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCN(C)C2CCCC2)cc(Cl)n1
InChIInChI=1S/C15H23ClN4O/c1-17-14-10-11(9-13(16)19-14)15(21)18-7-8-20(2)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyWUTRRAJZNMGKEY-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.38
Rot. Bonds6

About 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide (PubChem CID 63317161) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
PubChem CID63317161
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCN(C)C2CCCC2)cc(Cl)n1
InChIInChI=1S/C15H23ClN4O/c1-17-14-10-11(9-13(16)19-14)15(21)18-7-8-20(2)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyWUTRRAJZNMGKEY-UHFFFAOYSA-N
XLogP2.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.38
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

2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
CID 62165625
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
2-chloro-N-methyl-6-(methylamino)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179291
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 62177130
5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 63316487
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
CID 104628315
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
2-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 63834851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide (CID 63317161) is 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCN(C)C2CCCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is WUTRRAJZNMGKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-17-14-10-11(9-13(16)19-14)15(21)18-7-8-20(2)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 63317161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).