5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide

C19H20BrN3O3 — CID 142816904

IUPAC5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
SMILESCN1CCC(C(=O)c2cccc(NC(=O)c3cc(Br)ccc3O)n2)CC1
InChIInChI=1S/C19H20BrN3O3/c1-23-9-7-12(8-10-23)18(25)15-3-2-4-17(21-15)22-19(26)14-11-13(20)5-6-16(14)24/h2-6,11-12,24H,7-10H2,1H3,(H,21,22,26)
InChIKeyGNDSEUYBXNLUCH-UHFFFAOYSA-N
MW418.29 g/mol
LogP3.33
Rot. Bonds4

About 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide

5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide (PubChem CID 142816904) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
PubChem CID142816904
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC Name5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
SMILESCN1CCC(C(=O)c2cccc(NC(=O)c3cc(Br)ccc3O)n2)CC1
InChIInChI=1S/C19H20BrN3O3/c1-23-9-7-12(8-10-23)18(25)15-3-2-4-17(21-15)22-19(26)14-11-13(20)5-6-16(14)24/h2-6,11-12,24H,7-10H2,1H3,(H,21,22,26)
InChIKeyGNDSEUYBXNLUCH-UHFFFAOYSA-N
XLogP3.33
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 59789355
formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 155570632
5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 103739840
1-(5-bromo-2-methoxyphenyl)-2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]ethanone
CID 153008612
6-[(2-hydroxy-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63642015
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
CID 134818199
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;dihydrate;dihydrochloride
CID 163210129
5-bromo-2-hydroxy-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 840820
[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate
CID 175007946
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide
CID 175281836

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide (CID 142816904) is 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide is CN1CCC(C(=O)c2cccc(NC(=O)c3cc(Br)ccc3O)n2)CC1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
The InChIKey is GNDSEUYBXNLUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-23-9-7-12(8-10-23)18(25)15-3-2-4-17(21-15)22-19(26)14-11-13(20)5-6-16(14)24/h2-6,11-12,24H,7-10H2,1H3,(H,21,22,26).
What are the key properties of 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide has a molecular weight of 418.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 142816904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).