5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C15H11FN2OS — CID 4792409

IUPAC5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H11FN2OS/c1-9-4-5-17-14(6-9)18-15(19)13-8-10-7-11(16)2-3-12(10)20-13/h2-8H,1H3,(H,17,18,19)
InChIKeyOEVXXWZSBLQTBD-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.00
Rot. Bonds2

About 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 4792409) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID4792409
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H11FN2OS/c1-9-4-5-17-14(6-9)18-15(19)13-8-10-7-11(16)2-3-12(10)20-13/h2-8H,1H3,(H,17,18,19)
InChIKeyOEVXXWZSBLQTBD-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
CID 11951723
7-Amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218756
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
N-(5-bromopyridin-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 17024255
5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106826

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 4792409) is 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1ccnc(NC(=O)c2cc3cc(F)ccc3s2)c1.
What is the InChIKey of 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is OEVXXWZSBLQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-9-4-5-17-14(6-9)18-15(19)13-8-10-7-11(16)2-3-12(10)20-13/h2-8H,1H3,(H,17,18,19).
What are the key properties of 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4792409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).