N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine

C14H17N5 — CID 62761986

IUPACN-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESc1cnc(N2CCCC2)c(NCc2cnccn2)c1
InChIInChI=1S/C14H17N5/c1-2-9-19(8-1)14-13(4-3-5-17-14)18-11-12-10-15-6-7-16-12/h3-7,10,18H,1-2,8-9,11H2
InChIKeyOBOPJGXRLRRDRJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.08
Rot. Bonds4

About N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine

N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 62761986) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID62761986
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESc1cnc(N2CCCC2)c(NCc2cnccn2)c1
InChIInChI=1S/C14H17N5/c1-2-9-19(8-1)14-13(4-3-5-17-14)18-11-12-10-15-6-7-16-12/h3-7,10,18H,1-2,8-9,11H2
InChIKeyOBOPJGXRLRRDRJ-UHFFFAOYSA-N
XLogP2.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine (CID 62761986) is N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine is c1cnc(N2CCCC2)c(NCc2cnccn2)c1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is OBOPJGXRLRRDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-9-19(8-1)14-13(4-3-5-17-14)18-11-12-10-15-6-7-16-12/h3-7,10,18H,1-2,8-9,11H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine?
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 255.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 62761986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).