6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide

C15H14BrN3O2 — CID 71863207

IUPAC6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)CCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H14BrN3O2/c16-11-7-4-10(5-8-11)6-9-14(20)19-13-3-1-2-12(18-13)15(17)21/h1-5,7-8H,6,9H2,(H2,17,21)(H,18,19,20)
InChIKeyWQBXJOFRJDSUQP-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.51
Rot. Bonds5

About 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide

6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide (PubChem CID 71863207) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide
PubChem CID71863207
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)CCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H14BrN3O2/c16-11-7-4-10(5-8-11)6-9-14(20)19-13-3-1-2-12(18-13)15(17)21/h1-5,7-8H,6,9H2,(H2,17,21)(H,18,19,20)
InChIKeyWQBXJOFRJDSUQP-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 136527343
N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62235842
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 71874616
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
CID 80700531
2-[3-(4-bromophenyl)propanoylamino]thiophene-3-carboxylic acid
CID 69408719

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide?
The IUPAC name of 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide (CID 71863207) is 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide is NC(=O)c1cccc(NC(=O)CCc2ccc(Br)cc2)n1.
What is the InChIKey of 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide?
The InChIKey is WQBXJOFRJDSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-11-7-4-10(5-8-11)6-9-14(20)19-13-3-1-2-12(18-13)15(17)21/h1-5,7-8H,6,9H2,(H2,17,21)(H,18,19,20).
What are the key properties of 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide?
6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-bromophenyl)propanoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 71863207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).