6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide

C17H18BrN3O — CID 109152271

IUPAC6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C17H18BrN3O/c18-13-4-3-7-15(10-13)20-16-9-8-12(11-19-16)17(22)21-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,19,20)(H,21,22)
InChIKeyVDRKPODOMYQDPF-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.26
Rot. Bonds4

About 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide

6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide (PubChem CID 109152271) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
PubChem CID109152271
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C17H18BrN3O/c18-13-4-3-7-15(10-13)20-16-9-8-12(11-19-16)17(22)21-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,19,20)(H,21,22)
InChIKeyVDRKPODOMYQDPF-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

6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
N-(3-bromophenyl)-6-(cyclopentylamino)pyridine-3-carboxamide
CID 109152213
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159393
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide (CID 109152271) is 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide is O=C(NC1CCCC1)c1ccc(Nc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide?
The InChIKey is VDRKPODOMYQDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-13-4-3-7-15(10-13)20-16-9-8-12(11-19-16)17(22)21-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,19,20)(H,21,22).
What are the key properties of 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide?
6-(3-bromoanilino)-N-cyclopentylpyridine-3-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 6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide is sourced from PubChem (CID 109152271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).