6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine

C12H14N4 — CID 79021830

IUPAC6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccncc2)n1
InChIInChI=1S/C12H14N4/c1-9-2-3-11(13)12(16-9)15-8-10-4-6-14-7-5-10/h2-7H,8,13H2,1H3,(H,15,16)
InChIKeyNTAUBJUZTAANMQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds3

About 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine

6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine (PubChem CID 79021830) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
PubChem CID79021830
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccncc2)n1
InChIInChI=1S/C12H14N4/c1-9-2-3-11(13)12(16-9)15-8-10-4-6-14-7-5-10/h2-7H,8,13H2,1H3,(H,15,16)
InChIKeyNTAUBJUZTAANMQ-UHFFFAOYSA-N
XLogP1.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-N-(pyridin-4-ylmethyl)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

Related Compounds

6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132228
2-N-[(5-chlorothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132227
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
N-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 79021592
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
CID 113286378
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine (CID 79021830) is 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine is Cc1ccc(N)c(NCc2ccncc2)n1.
What is the InChIKey of 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine?
The InChIKey is NTAUBJUZTAANMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-2-3-11(13)12(16-9)15-8-10-4-6-14-7-5-10/h2-7H,8,13H2,1H3,(H,15,16).
What are the key properties of 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine?
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 79021830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).