1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C20H23BrN4O2 — CID 55816386

IUPAC1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccn3)CC2)ccc1Br
InChIInChI=1S/C20H23BrN4O2/c1-14-12-16(5-6-17(14)21)23-19(26)13-25-10-7-15(8-11-25)20(27)24-18-4-2-3-9-22-18/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,23,26)(H,22,24,27)
InChIKeyRYKJWAFSDAAFRK-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.44
Rot. Bonds5

About 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55816386) has the molecular formula C20H23BrN4O2 and a molecular weight of 431.33 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55816386
Molecular FormulaC20H23BrN4O2
Molecular Weight431.33 g/mol
Exact Mass430.10
IUPAC Name1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccn3)CC2)ccc1Br
InChIInChI=1S/C20H23BrN4O2/c1-14-12-16(5-6-17(14)21)23-19(26)13-25-10-7-15(8-11-25)20(27)24-18-4-2-3-9-22-18/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,23,26)(H,22,24,27)
InChIKeyRYKJWAFSDAAFRK-UHFFFAOYSA-N
XLogP3.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37466938
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816454
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816585
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55816386) is 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccn3)CC2)ccc1Br.
What is the InChIKey of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is RYKJWAFSDAAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O2/c1-14-12-16(5-6-17(14)21)23-19(26)13-25-10-7-15(8-11-25)20(27)24-18-4-2-3-9-22-18/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,23,26)(H,22,24,27).
What are the key properties of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55816386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).