6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

C18H24N4 — CID 110257278

IUPAC6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESc1cncc(CNc2cccc(CC3CCCNCC3)n2)c1
InChIInChI=1S/C18H24N4/c1-6-17(12-15-4-2-9-19-11-8-15)22-18(7-1)21-14-16-5-3-10-20-13-16/h1,3,5-7,10,13,15,19H,2,4,8-9,11-12,14H2,(H,21,22)
InChIKeyJRKPLCYIBPSUBI-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.02
Rot. Bonds5

About 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 110257278) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID110257278
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESc1cncc(CNc2cccc(CC3CCCNCC3)n2)c1
InChIInChI=1S/C18H24N4/c1-6-17(12-15-4-2-9-19-11-8-15)22-18(7-1)21-14-16-5-3-10-20-13-16/h1,3,5-7,10,13,15,19H,2,4,8-9,11-12,14H2,(H,21,22)
InChIKeyJRKPLCYIBPSUBI-UHFFFAOYSA-N
XLogP3.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 110257278) is 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is c1cncc(CNc2cccc(CC3CCCNCC3)n2)c1.
What is the InChIKey of 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is JRKPLCYIBPSUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-6-17(12-15-4-2-9-19-11-8-15)22-18(7-1)21-14-16-5-3-10-20-13-16/h1,3,5-7,10,13,15,19H,2,4,8-9,11-12,14H2,(H,21,22).
What are the key properties of 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 110257278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).