N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide

C14H19ClN2O — CID 113395039

IUPACN-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCCCCC1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-6-5-9-16-13(10)14(18)17-12-8-4-2-3-7-11(12)15/h5-6,9,11-12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyULVYCSHWPPNWMG-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.06
Rot. Bonds2

About N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide

N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide (PubChem CID 113395039) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
PubChem CID113395039
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCCCCC1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-6-5-9-16-13(10)14(18)17-12-8-4-2-3-7-11(12)15/h5-6,9,11-12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyULVYCSHWPPNWMG-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-methylpyridine-2-carboxamide
CID 113290267
N-cyclopentyloxy-3-methylpyridine-2-carboxamide
CID 83202115
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079
3-amino-N-(2-tert-butylcyclohexyl)pyridine-2-carboxamide
CID 104741168
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 114317374
3-methyl-N-(2-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 106995373
N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide (CID 113395039) is N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC1CCCCCC1Cl.
What is the InChIKey of N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide?
The InChIKey is ULVYCSHWPPNWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-6-5-9-16-13(10)14(18)17-12-8-4-2-3-7-11(12)15/h5-6,9,11-12H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide?
N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 113395039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).