5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine

C13H15N3 — CID 104533137

IUPAC5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine
SMILESCc1ccccc1CNc1cncc(N)c1
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-11(10)7-16-13-6-12(14)8-15-9-13/h2-6,8-9,16H,7,14H2,1H3
InChIKeyICIHZKFKQXBUGY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds3

About 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine

5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine (PubChem CID 104533137) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine
PubChem CID104533137
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine
SMILESCc1ccccc1CNc1cncc(N)c1
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-11(10)7-16-13-6-12(14)8-15-9-13/h2-6,8-9,16H,7,14H2,1H3
InChIKeyICIHZKFKQXBUGY-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
5-N-ethylpyridine-3,5-diamine
CID 104532571
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
3-N-[(2-methylphenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80730750
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine
CID 106015386
ethyl 4-[[5-[(2-methylphenyl)methylamino]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109232111

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine (CID 104533137) is 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine is Cc1ccccc1CNc1cncc(N)c1.
What is the InChIKey of 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine?
The InChIKey is ICIHZKFKQXBUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-4-2-3-5-11(10)7-16-13-6-12(14)8-15-9-13/h2-6,8-9,16H,7,14H2,1H3.
What are the key properties of 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine?
5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 104533137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).