5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine

C13H15ClN4 — CID 80503008

IUPAC5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
SMILESCN(CCc1ccncc1)c1ncc(Cl)cc1N
InChIInChI=1S/C13H15ClN4/c1-18(7-4-10-2-5-16-6-3-10)13-12(15)8-11(14)9-17-13/h2-3,5-6,8-9H,4,7,15H2,1H3
InChIKeyYZAWZHYFLIXWNE-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine

5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine (PubChem CID 80503008) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
PubChem CID80503008
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
SMILESCN(CCc1ccncc1)c1ncc(Cl)cc1N
InChIInChI=1S/C13H15ClN4/c1-18(7-4-10-2-5-16-6-3-10)13-12(15)8-11(14)9-17-13/h2-3,5-6,8-9H,4,7,15H2,1H3
InChIKeyYZAWZHYFLIXWNE-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
5-(aminomethyl)-N,3-dimethyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 80630342
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791974
2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 79075884
N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
5-chloro-2-N-(4-chlorophenyl)-2-N-methylpyridine-2,3-diamine
CID 67905407
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine (CID 80503008) is 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine is CN(CCc1ccncc1)c1ncc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine?
The InChIKey is YZAWZHYFLIXWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18(7-4-10-2-5-16-6-3-10)13-12(15)8-11(14)9-17-13/h2-3,5-6,8-9H,4,7,15H2,1H3.
What are the key properties of 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine?
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine has a molecular weight of 262.74 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 80503008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).