6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide

C14H13BrN2OS — CID 113346712

IUPAC6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1cccc(Br)n1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H13BrN2OS/c15-13-3-1-2-12(16-13)14(18)17(11-4-5-11)8-10-6-7-19-9-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyCNAIYDGRAZORJA-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.71
Rot. Bonds4

About 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide

6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 113346712) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
PubChem CID113346712
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1cccc(Br)n1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H13BrN2OS/c15-13-3-1-2-12(16-13)14(18)17(11-4-5-11)8-10-6-7-19-9-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyCNAIYDGRAZORJA-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
CID 103874221
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70704455
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61167773
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70729457
N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 122565811

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide (CID 113346712) is 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide is O=C(c1cccc(Br)n1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CNAIYDGRAZORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-13-3-1-2-12(16-13)14(18)17(11-4-5-11)8-10-6-7-19-9-10/h1-3,6-7,9,11H,4-5,8H2.
What are the key properties of 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113346712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).