6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide

C17H20BrN3O — CID 109161449

IUPAC6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccccc2Br)nc1
InChIInChI=1S/C17H20BrN3O/c1-2-3-6-11-19-17(22)13-9-10-16(20-12-13)21-15-8-5-4-7-14(15)18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOHQWZOYWWGOIQI-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.51
Rot. Bonds7

About 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide

6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide (PubChem CID 109161449) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
PubChem CID109161449
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccccc2Br)nc1
InChIInChI=1S/C17H20BrN3O/c1-2-3-6-11-19-17(22)13-9-10-16(20-12-13)21-15-8-5-4-7-14(15)18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOHQWZOYWWGOIQI-UHFFFAOYSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175321
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153082
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
4-bromo-N-pentylbenzamide
CID 4167913

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide (CID 109161449) is 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1ccc(Nc2ccccc2Br)nc1.
What is the InChIKey of 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide?
The InChIKey is OHQWZOYWWGOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-2-3-6-11-19-17(22)13-9-10-16(20-12-13)21-15-8-5-4-7-14(15)18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide?
6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 109161449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).