6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride

C14H22ClN3O — CID 119999021

IUPAC6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride
SMILESCCC1CCCCC1NC(=O)c1cccc(N)n1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-2-10-6-3-4-7-11(10)17-14(18)12-8-5-9-13(15)16-12;/h5,8-11H,2-4,6-7H2,1H3,(H2,15,16)(H,17,18);1H
InChIKeyZOOSPHVKQQZRCI-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.78
Rot. Bonds3

About 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride

6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 119999021) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride
PubChem CID119999021
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride
SMILESCCC1CCCCC1NC(=O)c1cccc(N)n1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-2-10-6-3-4-7-11(10)17-14(18)12-8-5-9-13(15)16-12;/h5,8-11H,2-4,6-7H2,1H3,(H2,15,16)(H,17,18);1H
InChIKeyZOOSPHVKQQZRCI-UHFFFAOYSA-N
XLogP2.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride (CID 119999021) is 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride is CCC1CCCCC1NC(=O)c1cccc(N)n1.Cl.
What is the InChIKey of 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is ZOOSPHVKQQZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-2-10-6-3-4-7-11(10)17-14(18)12-8-5-9-13(15)16-12;/h5,8-11H,2-4,6-7H2,1H3,(H2,15,16)(H,17,18);1H.
What are the key properties of 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride?
6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119999021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).