N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide

C12H11BrN2OS — CID 17024255

IUPACN-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)sc1C
InChIInChI=1S/C12H11BrN2OS/c1-7-5-10(17-8(7)2)12(16)15-11-4-3-9(13)6-14-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyWEXQTNGZEYDILW-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.77
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide

N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 17024255) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID17024255
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)sc1C
InChIInChI=1S/C12H11BrN2OS/c1-7-5-10(17-8(7)2)12(16)15-11-4-3-9(13)6-14-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyWEXQTNGZEYDILW-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
2-Thiophenecarboxamide, N-2-pyridinyl-
CID 759105
4-Amino-2-Bromothieno[3,2-C]pyridine-7-Carboxamide
CID 58840713
Thiophene-2-carboxylic acid [5-(2,2-dimethyl-propionylamino)-4-methyl-pyridin-2-yl]-amide
CID 1449124
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
N-(5-bromopyridin-2-yl)-5-chlorothiophene-2-carboxamide
CID 4062985
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
5-fluoro-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 4792409
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
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 N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide (CID 17024255) is N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cn2)sc1C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is WEXQTNGZEYDILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-7-5-10(17-8(7)2)12(16)15-11-4-3-9(13)6-14-11/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 17024255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).