5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine

C17H23N5 — CID 110257279

IUPAC5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESc1cncc(CNc2cnc(CC3CCCNCC3)cn2)c1
InChIInChI=1S/C17H23N5/c1-3-14(5-8-18-6-1)9-16-12-22-17(13-20-16)21-11-15-4-2-7-19-10-15/h2,4,7,10,12-14,18H,1,3,5-6,8-9,11H2,(H,21,22)
InChIKeyNLFSISUNLXQIRZ-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.42
Rot. Bonds5

About 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine

5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine (PubChem CID 110257279) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
PubChem CID110257279
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
SMILESc1cncc(CNc2cnc(CC3CCCNCC3)cn2)c1
InChIInChI=1S/C17H23N5/c1-3-14(5-8-18-6-1)9-16-12-22-17(13-20-16)21-11-15-4-2-7-19-10-15/h2,4,7,10,12-14,18H,1,3,5-6,8-9,11H2,(H,21,22)
InChIKeyNLFSISUNLXQIRZ-UHFFFAOYSA-N
XLogP2.42
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine (CID 110257279) is 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine is c1cncc(CNc2cnc(CC3CCCNCC3)cn2)c1.
What is the InChIKey of 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
The InChIKey is NLFSISUNLXQIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-14(5-8-18-6-1)9-16-12-22-17(13-20-16)21-11-15-4-2-7-19-10-15/h2,4,7,10,12-14,18H,1,3,5-6,8-9,11H2,(H,21,22).
What are the key properties of 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine?
5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 110257279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).