N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C14H22N4O — CID 119495810

IUPACN-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-11(15)6-7-16-14(19)12-4-5-13(17-10-12)18-8-2-3-9-18/h4-5,10-11H,2-3,6-9,15H2,1H3,(H,16,19)
InChIKeyYAMGWHBSMAWUJJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.15
Rot. Bonds5

About N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 119495810) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID119495810
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-11(15)6-7-16-14(19)12-4-5-13(17-10-12)18-8-2-3-9-18/h4-5,10-11H,2-3,6-9,15H2,1H3,(H,16,19)
InChIKeyYAMGWHBSMAWUJJ-UHFFFAOYSA-N
XLogP1.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
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-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 119495810) is N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is CC(N)CCNC(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is YAMGWHBSMAWUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(15)6-7-16-14(19)12-4-5-13(17-10-12)18-8-2-3-9-18/h4-5,10-11H,2-3,6-9,15H2,1H3,(H,16,19).
What are the key properties of N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 119495810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).