3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

C15H13N3OS — CID 107112759

IUPAC3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)Nc3cccnc3)sc12
InChIInChI=1S/C15H13N3OS/c1-9-4-2-6-11-12(16)14(20-13(9)11)15(19)18-10-5-3-7-17-8-10/h2-8H,16H2,1H3,(H,18,19)
InChIKeySYKGNTTTWUTGBI-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds2

About 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 107112759) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID107112759
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)Nc3cccnc3)sc12
InChIInChI=1S/C15H13N3OS/c1-9-4-2-6-11-12(16)14(20-13(9)11)15(19)18-10-5-3-7-17-8-10/h2-8H,16H2,1H3,(H,18,19)
InChIKeySYKGNTTTWUTGBI-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-chlorophenyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112776
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
3-amino-4,6-dimethyl-N-pyridin-3-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81036760
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207
3-amino-N-(1-amino-1-oxopropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112859
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 107113001

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (CID 107112759) is 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)Nc3cccnc3)sc12.
What is the InChIKey of 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is SYKGNTTTWUTGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-4-2-6-11-12(16)14(20-13(9)11)15(19)18-10-5-3-7-17-8-10/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).