2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine

C15H18N4 — CID 144889225

IUPAC2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine
SMILESCc1cc(-c2cnc(NCC3CC3)c(N)c2)ccn1
InChIInChI=1S/C15H18N4/c1-10-6-12(4-5-17-10)13-7-14(16)15(19-9-13)18-8-11-2-3-11/h4-7,9,11H,2-3,8,16H2,1H3,(H,18,19)
InChIKeyBHOBYNGEZXPCJJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.86
Rot. Bonds4

About 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine

2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine (PubChem CID 144889225) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine
PubChem CID144889225
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine
SMILESCc1cc(-c2cnc(NCC3CC3)c(N)c2)ccn1
InChIInChI=1S/C15H18N4/c1-10-6-12(4-5-17-10)13-7-14(16)15(19-9-13)18-8-11-2-3-11/h4-7,9,11H,2-3,8,16H2,1H3,(H,18,19)
InChIKeyBHOBYNGEZXPCJJ-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine (CID 144889225) is 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine is Cc1cc(-c2cnc(NCC3CC3)c(N)c2)ccn1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine?
The InChIKey is BHOBYNGEZXPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-6-12(4-5-17-10)13-7-14(16)15(19-9-13)18-8-11-2-3-11/h4-7,9,11H,2-3,8,16H2,1H3,(H,18,19).
What are the key properties of 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine?
2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine is sourced from PubChem (CID 144889225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).