2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide

C14H19ClN2O — CID 43409219

IUPAC2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1Cl)C1CCCCCC1
InChIInChI=1S/C14H19ClN2O/c1-17(11-7-4-2-3-5-8-11)14(18)12-9-6-10-16-13(12)15/h6,9-11H,2-5,7-8H2,1H3
InChIKeyNEWGTFQALVCFMJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.53
Rot. Bonds2

About 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide

2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide (PubChem CID 43409219) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
PubChem CID43409219
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1Cl)C1CCCCCC1
InChIInChI=1S/C14H19ClN2O/c1-17(11-7-4-2-3-5-8-11)14(18)12-9-6-10-16-13(12)15/h6,9-11H,2-5,7-8H2,1H3
InChIKeyNEWGTFQALVCFMJ-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-N-ethylpyridine-3-carboxamide
CID 18069572
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
N-cyclohexyl-N-methyl-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 141207977
2-chloro-N-cycloheptyl-N-methyl-3-nitropyridine-4-carboxamide
CID 64856669
tert-butyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]piperidine-1-carboxylate
CID 66570109
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 107362833
N-cyclohexyl-N-methyl-1,8-naphthyridine-2-carboxamide
CID 70289942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide (CID 43409219) is 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1Cl)C1CCCCCC1.
What is the InChIKey of 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide?
The InChIKey is NEWGTFQALVCFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(11-7-4-2-3-5-8-11)14(18)12-9-6-10-16-13(12)15/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide?
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 43409219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).