5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide

C12H11BrN2OS — CID 63310048

IUPAC5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCc1cccnc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C12H11BrN2OS/c1-8-3-2-4-14-10(8)6-15-12(16)9-5-11(13)17-7-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyIYETVYBHBSYYPV-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide (PubChem CID 63310048) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
PubChem CID63310048
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCc1cccnc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C12H11BrN2OS/c1-8-3-2-4-14-10(8)6-15-12(16)9-5-11(13)17-7-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyIYETVYBHBSYYPV-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853950
2-(methylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55204056
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
4-bromo-N-[(3-methyl-2-pyridinyl)methyl]-2-sulfanylbenzamide
CID 107029696
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029690
4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309459
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
CID 64695293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide (CID 63310048) is 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide is Cc1cccnc1CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide?
The InChIKey is IYETVYBHBSYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8-3-2-4-14-10(8)6-15-12(16)9-5-11(13)17-7-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 63310048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).