N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine

C17H15ClN2S — CID 19360198

IUPACN-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine
SMILESClc1ccc2c(N(CC3CC3)c3ccncc3)csc2c1
InChIInChI=1S/C17H15ClN2S/c18-13-3-4-15-16(11-21-17(15)9-13)20(10-12-1-2-12)14-5-7-19-8-6-14/h3-9,11-12H,1-2,10H2
InChIKeyXTOZEFTUBKAWTF-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.50
Rot. Bonds4

About N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine

N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine (PubChem CID 19360198) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine
PubChem CID19360198
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC NameN-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine
SMILESClc1ccc2c(N(CC3CC3)c3ccncc3)csc2c1
InChIInChI=1S/C17H15ClN2S/c18-13-3-4-15-16(11-21-17(15)9-13)20(10-12-1-2-12)14-5-7-19-8-6-14/h3-9,11-12H,1-2,10H2
InChIKeyXTOZEFTUBKAWTF-UHFFFAOYSA-N
XLogP5.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride
CID 19360190
N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride
CID 19014477
N-ethyl-N-pyridin-4-ylthieno[3,2-c]pyridin-3-amine
CID 54444858
3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117178145
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
6-chloro-3-ethylsulfanyl-1-benzothiophene
CID 174892219
5-chloro-2-[cyclopropylmethyl(methyl)amino]benzenecarbothioamide
CID 62493684
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
N-(4-chloro-1-benzothiophen-3-yl)-N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyridin-4-amine
CID 19360176
6-chloro-3-(methylsulfanylmethyl)-1-benzothiophene
CID 117178170
5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline
CID 114846715
2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
CID 43656331

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine?
The IUPAC name of N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine (CID 19360198) is N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine.
What is the SMILES notation for N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine?
The canonical SMILES for N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine is Clc1ccc2c(N(CC3CC3)c3ccncc3)csc2c1.
What is the InChIKey of N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine?
The InChIKey is XTOZEFTUBKAWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c18-13-3-4-15-16(11-21-17(15)9-13)20(10-12-1-2-12)14-5-7-19-8-6-14/h3-9,11-12H,1-2,10H2.
What are the key properties of N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine?
N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine has a molecular weight of 314.84 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine is sourced from PubChem (CID 19360198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).