2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide

C14H19ClN2O — CID 102796878

IUPAC2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-5-11(8-7-10)17-14(18)12-6-3-9-16-13(12)15/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,17,18)
InChIKeyHUAOXIXAPAERLX-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide

2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide (PubChem CID 102796878) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
PubChem CID102796878
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-5-11(8-7-10)17-14(18)12-6-3-9-16-13(12)15/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,17,18)
InChIKeyHUAOXIXAPAERLX-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270856
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78907835
N-cyclopropyl-2-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 53015810
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide (CID 102796878) is 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide is CC1CCCC(NC(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
The InChIKey is HUAOXIXAPAERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-4-2-5-11(8-7-10)17-14(18)12-6-3-9-16-13(12)15/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide is sourced from PubChem (CID 102796878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).