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

C15H12N2OS — CID 35029727

IUPACN-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C15H12N2OS/c1-10-6-7-16-14(8-10)17-15(18)13-9-11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17,18)
InChIKeyUQKYQASYNHCKNN-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.86
Rot. Bonds2

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

N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 35029727) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID35029727
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C15H12N2OS/c1-10-6-7-16-14(8-10)17-15(18)13-9-11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17,18)
InChIKeyUQKYQASYNHCKNN-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 102674100
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzothiophene-2-carboxamide
CID 122316823
N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 46107140
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride
CID 53352579
N-(4-methyl-2-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 35027260
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 61207819
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616238
N-pyrazolo[1,5-a]pyrimidin-7-yl-1-benzothiophene-2-carboxamide
CID 167973199

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 35029727) is N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1ccnc(NC(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UQKYQASYNHCKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-6-7-16-14(8-10)17-15(18)13-9-11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35029727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).