2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide

C14H21N3O — CID 115116320

IUPAC2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide
SMILESNCCc1cc(C(=O)NCCC2CCC2)ccn1
InChIInChI=1S/C14H21N3O/c15-7-4-13-10-12(6-9-16-13)14(18)17-8-5-11-2-1-3-11/h6,9-11H,1-5,7-8,15H2,(H,17,18)
InChIKeyNZJRVFHDDWMFQA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.50
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide

2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide (PubChem CID 115116320) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide
PubChem CID115116320
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide
SMILESNCCc1cc(C(=O)NCCC2CCC2)ccn1
InChIInChI=1S/C14H21N3O/c15-7-4-13-10-12(6-9-16-13)14(18)17-8-5-11-2-1-3-11/h6,9-11H,1-5,7-8,15H2,(H,17,18)
InChIKeyNZJRVFHDDWMFQA-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116140
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
CID 115116324
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266
4-(aminomethyl)-N-(2-cyclohexylethyl)pyridine-2-carboxamide
CID 115117078
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide (CID 115116320) is 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide is NCCc1cc(C(=O)NCCC2CCC2)ccn1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide?
The InChIKey is NZJRVFHDDWMFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-7-4-13-10-12(6-9-16-13)14(18)17-8-5-11-2-1-3-11/h6,9-11H,1-5,7-8,15H2,(H,17,18).
What are the key properties of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide?
2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).