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

C15H15N3O2S — CID 722715

IUPACN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2
InChIInChI=1S/C15H15N3O2S/c16-13(19)12-10-5-1-2-6-11(10)21-15(12)18-14(20)9-4-3-7-17-8-9/h3-4,7-8H,1-2,5-6H2,(H2,16,19)(H,18,20)
InChIKeyVPZYTLSYUXWBNC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.37
Rot. Bonds3

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

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide (PubChem CID 722715) 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-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
PubChem CID722715
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2
InChIInChI=1S/C15H15N3O2S/c16-13(19)12-10-5-1-2-6-11(10)21-15(12)18-14(20)9-4-3-7-17-8-9/h3-4,7-8H,1-2,5-6H2,(H2,16,19)(H,18,20)
InChIKeyVPZYTLSYUXWBNC-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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Related Compounds

N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
CID 2886111
N-{3-[(thiophen-2-ylcarbonyl)amino]phenyl}pyridine-3-carboxamide
CID 822274
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
CID 841628
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 668683
N-(3-{2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl}phenyl)pyridine-3-carboxamide
CID 25138000
N-hydroxy-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 44418106
N-hydroxy-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 44418125
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pyridine-4-carboxamide
CID 897174
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide (CID 722715) is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide is NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2.
What is the InChIKey of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is VPZYTLSYUXWBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-13(19)12-10-5-1-2-6-11(10)21-15(12)18-14(20)9-4-3-7-17-8-9/h3-4,7-8H,1-2,5-6H2,(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-3-carboxamide?
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 722715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).