2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine

C13H16N4 — CID 66278201

IUPAC2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
SMILESCc1cnc(N(C)Cc2cccnc2)c(N)c1
InChIInChI=1S/C13H16N4/c1-10-6-12(14)13(16-7-10)17(2)9-11-4-3-5-15-8-11/h3-8H,9,14H2,1-2H3
InChIKeyMELOZMKSZJTRLQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds3

About 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine

2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine (PubChem CID 66278201) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
PubChem CID66278201
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
SMILESCc1cnc(N(C)Cc2cccnc2)c(N)c1
InChIInChI=1S/C13H16N4/c1-10-6-12(14)13(16-7-10)17(2)9-11-4-3-5-15-8-11/h3-8H,9,14H2,1-2H3
InChIKeyMELOZMKSZJTRLQ-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 154785251
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360517

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine (CID 66278201) is 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine is Cc1cnc(N(C)Cc2cccnc2)c(N)c1.
What is the InChIKey of 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine?
The InChIKey is MELOZMKSZJTRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-6-12(14)13(16-7-10)17(2)9-11-4-3-5-15-8-11/h3-8H,9,14H2,1-2H3.
What are the key properties of 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine?
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 66278201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).