5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide

C15H16ClN3OS — CID 114923356

IUPAC5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCCc3sccc32)c(Cl)cn1
InChIInChI=1S/C15H16ClN3OS/c1-17-14-7-10(11(16)8-18-14)15(20)19-12-3-2-4-13-9(12)5-6-21-13/h5-8,12H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyMHVVXZRCYGEBAV-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.65
Rot. Bonds3

About 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide (PubChem CID 114923356) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
PubChem CID114923356
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCCc3sccc32)c(Cl)cn1
InChIInChI=1S/C15H16ClN3OS/c1-17-14-7-10(11(16)8-18-14)15(20)19-12-3-2-4-13-9(12)5-6-21-13/h5-8,12H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyMHVVXZRCYGEBAV-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridine-4-carboxylic acid
CID 114919582
2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-carboxamide
CID 62844798
2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844409
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
2,3-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 105381165
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 115930522
5-chloro-N-(2,2-dimethylcyclopentyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924065
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
CID 104856721
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
CID 62845505
2-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 113462580
5-chloro-2-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114921694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide (CID 114923356) is 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide is CNc1cc(C(=O)NC2CCCc3sccc32)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide?
The InChIKey is MHVVXZRCYGEBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-17-14-7-10(11(16)8-18-14)15(20)19-12-3-2-4-13-9(12)5-6-21-13/h5-8,12H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114923356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).