3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

C13H16ClN3S — CID 55054537

IUPAC3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C13H16ClN3S/c1-15-7-10-6-12(14)13(16-8-10)17(2)9-11-4-3-5-18-11/h3-6,8,15H,7,9H2,1-2H3
InChIKeyWKPWYOVJMBZJCF-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.15
Rot. Bonds5

About 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 55054537) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID55054537
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C13H16ClN3S/c1-15-7-10-6-12(14)13(16-8-10)17(2)9-11-4-3-5-18-11/h3-6,8,15H,7,9H2,1-2H3
InChIKeyWKPWYOVJMBZJCF-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine 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

3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281998
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
2-chloro-N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 81148558
3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294086
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 55054537) is 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is CNCc1cnc(N(C)Cc2cccs2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is WKPWYOVJMBZJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-15-7-10-6-12(14)13(16-8-10)17(2)9-11-4-3-5-18-11/h3-6,8,15H,7,9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 281.81 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 55054537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).