5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide

C17H18BrN3O — CID 109182312

IUPAC5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C17H18BrN3O/c18-12-4-3-7-14(10-12)20-15-8-9-16(19-11-15)17(22)21-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2,(H,21,22)
InChIKeyQFESQGJVZGNWCV-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.26
Rot. Bonds4

About 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide

5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide (PubChem CID 109182312) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
PubChem CID109182312
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C17H18BrN3O/c18-12-4-3-7-14(10-12)20-15-8-9-16(19-11-15)17(22)21-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2,(H,21,22)
InChIKeyQFESQGJVZGNWCV-UHFFFAOYSA-N
XLogP4.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-acetylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183026
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
N-cyclopropyl-5-(3-methylanilino)pyridine-2-carboxamide
CID 109179924
4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201843
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
N-cyclopropyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109179932
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
N-cyclopentyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109182280
5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198855

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide (CID 109182312) is 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide is O=C(NC1CCCC1)c1ccc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide?
The InChIKey is QFESQGJVZGNWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-12-4-3-7-14(10-12)20-15-8-9-16(19-11-15)17(22)21-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2,(H,21,22).
What are the key properties of 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide?
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide has a molecular weight of 360.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide is sourced from PubChem (CID 109182312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).