2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide

C14H19ClN2O2 — CID 84580873

IUPAC2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCCC2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-9-10(8-12(15)17-13)14(18)16-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)
InChIKeyNSAGGLUYXHNKLQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide

2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide (PubChem CID 84580873) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide
PubChem CID84580873
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCCC2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-9-10(8-12(15)17-13)14(18)16-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)
InChIKeyNSAGGLUYXHNKLQ-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
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-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
CID 62165625
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
tert-butyl N-[[4-[[(2-chloro-6-methoxypyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
CID 58002083
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
CID 84580910

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide (CID 84580873) is 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide is COc1cc(C(=O)NC2CCCCCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide?
The InChIKey is NSAGGLUYXHNKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13-9-10(8-12(15)17-13)14(18)16-11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide?
2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-6-methoxypyridine-4-carboxamide is sourced from PubChem (CID 84580873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).