N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide

C14H22N4O — CID 119382780

IUPACN-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
SMILESNCCNC(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N4O/c15-7-8-16-14(19)12-5-6-13(17-11-12)18-9-3-1-2-4-10-18/h5-6,11H,1-4,7-10,15H2,(H,16,19)
InChIKeyMJLWMAVNNNOXCI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.15
Rot. Bonds4

About N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide

N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide (PubChem CID 119382780) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
PubChem CID119382780
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
SMILESNCCNC(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N4O/c15-7-8-16-14(19)12-5-6-13(17-11-12)18-9-3-1-2-4-10-18/h5-6,11H,1-4,7-10,15H2,(H,16,19)
InChIKeyMJLWMAVNNNOXCI-UHFFFAOYSA-N
XLogP1.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120603494
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
CID 37109544
N-(2-aminoethyl)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 119479939
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide (CID 119382780) is N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide is NCCNC(=O)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
The InChIKey is MJLWMAVNNNOXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-7-8-16-14(19)12-5-6-13(17-11-12)18-9-3-1-2-4-10-18/h5-6,11H,1-4,7-10,15H2,(H,16,19).
What are the key properties of N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 119382780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).