N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide

C15H15N3O2S — CID 764010

IUPACN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCCC2
InChIInChI=1S/C15H15N3O2S/c16-13(19)12-10-3-1-2-4-11(10)21-15(12)18-14(20)9-5-7-17-8-6-9/h5-8H,1-4H2,(H2,16,19)(H,18,20)
InChIKeyXMBOYYSWFRJUQR-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.37
Rot. Bonds3

About N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide (PubChem CID 764010) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
PubChem CID764010
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCCC2
InChIInChI=1S/C15H15N3O2S/c16-13(19)12-10-3-1-2-4-11(10)21-15(12)18-14(20)9-5-7-17-8-6-9/h5-8H,1-4H2,(H2,16,19)(H,18,20)
InChIKeyXMBOYYSWFRJUQR-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide (CID 764010) is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide is NC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCCC2.
What is the InChIKey of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
The InChIKey is XMBOYYSWFRJUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-13(19)12-10-3-1-2-4-11(10)21-15(12)18-14(20)9-5-7-17-8-6-9/h5-8H,1-4H2,(H2,16,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide?
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 764010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).