5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

C12H13N3 — CID 91636087

IUPAC5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCc1cncc(NCc2ccncc2)c1
InChIInChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3
InChIKeyCKIRWILOFLBVIB-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.40
Rot. Bonds3

About 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (PubChem CID 91636087) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
PubChem CID91636087
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCc1cncc(NCc2ccncc2)c1
InChIInChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3
InChIKeyCKIRWILOFLBVIB-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (CID 91636087) is 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is Cc1cncc(NCc2ccncc2)c1.
What is the InChIKey of 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The InChIKey is CKIRWILOFLBVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3.
What are the key properties of 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine has a molecular weight of 199.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 91636087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).