4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide

C14H21N3O — CID 64741870

IUPAC4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2cc(N)ccn2)C1
InChIInChI=1S/C14H21N3O/c1-2-10-4-3-5-12(8-10)17-14(18)13-9-11(15)6-7-16-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,15,16)(H,17,18)
InChIKeyDRFGYJMVJDWWDT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.36
Rot. Bonds3

About 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide

4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 64741870) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
PubChem CID64741870
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2cc(N)ccn2)C1
InChIInChI=1S/C14H21N3O/c1-2-10-4-3-5-12(8-10)17-14(18)13-9-11(15)6-7-16-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,15,16)(H,17,18)
InChIKeyDRFGYJMVJDWWDT-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide (CID 64741870) is 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide is CCC1CCCC(NC(=O)c2cc(N)ccn2)C1.
What is the InChIKey of 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is DRFGYJMVJDWWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-10-4-3-5-12(8-10)17-14(18)13-9-11(15)6-7-16-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 64741870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).