2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide

C14H20ClN3O — CID 62165625

IUPAC2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCCCCC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-16-13-9-10(8-12(15)18-13)14(19)17-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyIEANRRNKTSOTBS-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62165625) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID62165625
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCCCCC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-16-13-9-10(8-12(15)18-13)14(19)17-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyIEANRRNKTSOTBS-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 63499717
2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide
CID 84580873
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62165695
3-chloro-N-cyclohexyl-6-(methylamino)pyridine-2-carboxamide
CID 62173028
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
2-chloro-6-hydrazinyl-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 62248861
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 63933528
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 78954215
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide (CID 62165625) is 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC2CCCCCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is IEANRRNKTSOTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-16-13-9-10(8-12(15)18-13)14(19)17-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62165625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).