N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide

C14H19ClN2O — CID 107186552

IUPACN-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-14(2)9-4-3-6-10(14)13(18)17-12-8-5-7-11(15)16-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,17,18)
InChIKeySVAYCPNMNRXSSA-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.89
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107186552) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107186552
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-14(2)9-4-3-6-10(14)13(18)17-12-8-5-7-11(15)16-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,17,18)
InChIKeySVAYCPNMNRXSSA-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107186552) is N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is SVAYCPNMNRXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2)9-4-3-6-10(14)13(18)17-12-8-5-7-11(15)16-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107186552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).