N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine

C15H24N4 — CID 103981032

IUPACN-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine
SMILESc1cnc(N2CCCC2)c(NC2CCCNCC2)c1
InChIInChI=1S/C15H24N4/c1-2-12-19(11-1)15-14(6-4-9-17-15)18-13-5-3-8-16-10-7-13/h4,6,9,13,16,18H,1-3,5,7-8,10-12H2
InChIKeyBLFALPKDPSXYQC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds3

About N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine

N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine (PubChem CID 103981032) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine
PubChem CID103981032
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine
SMILESc1cnc(N2CCCC2)c(NC2CCCNCC2)c1
InChIInChI=1S/C15H24N4/c1-2-12-19(11-1)15-14(6-4-9-17-15)18-13-5-3-8-16-10-7-13/h4,6,9,13,16,18H,1-3,5,7-8,10-12H2
InChIKeyBLFALPKDPSXYQC-UHFFFAOYSA-N
XLogP2.24
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676380
2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine
CID 43676508
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647
N-(3-methylcyclopentyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 64500200
2-methyl-N-piperidin-4-ylpyridin-3-amine
CID 79041620
N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 112568481
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
N-(2-pyrrolidin-1-yl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824696
2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine
CID 91647731
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-(azepan-4-yl)-8-chloroquinolin-5-amine
CID 103981370
N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
CID 82572817

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine?
The IUPAC name of N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine (CID 103981032) is N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine?
The canonical SMILES for N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine is c1cnc(N2CCCC2)c(NC2CCCNCC2)c1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine?
The InChIKey is BLFALPKDPSXYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-12-19(11-1)15-14(6-4-9-17-15)18-13-5-3-8-16-10-7-13/h4,6,9,13,16,18H,1-3,5,7-8,10-12H2.
What are the key properties of N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine?
N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine is sourced from PubChem (CID 103981032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).