[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C19H22BrN3O — CID 109175669

IUPAC[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2Br)c1
InChIInChI=1S/C19H22BrN3O/c1-2-15-7-5-6-12-23(15)19(24)14-10-11-21-18(13-14)22-17-9-4-3-8-16(17)20/h3-4,8-11,13,15H,2,5-7,12H2,1H3,(H,21,22)
InChIKeyPGAAJXCHQKJSOF-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.99
Rot. Bonds4

About [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109175669) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109175669
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2Br)c1
InChIInChI=1S/C19H22BrN3O/c1-2-15-7-5-6-12-23(15)19(24)14-10-11-21-18(13-14)22-17-9-4-3-8-16(17)20/h3-4,8-11,13,15H,2,5-7,12H2,1H3,(H,21,22)
InChIKeyPGAAJXCHQKJSOF-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109175655
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175650
[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175643
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109175669) is [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2Br)c1.
What is the InChIKey of [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is PGAAJXCHQKJSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-2-15-7-5-6-12-23(15)19(24)14-10-11-21-18(13-14)22-17-9-4-3-8-16(17)20/h3-4,8-11,13,15H,2,5-7,12H2,1H3,(H,21,22).
What are the key properties of [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 388.31 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109175669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).