N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

C21H24BrClN4O2 — CID 55923201

IUPACN-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H24BrClN4O2/c22-17-3-6-19(25-13-17)26-21(29)16-8-11-27(12-9-16)14-20(28)24-10-7-15-1-4-18(23)5-2-15/h1-6,13,16H,7-12,14H2,(H,24,28)(H,25,26,29)
InChIKeyWCXNTXUTNKQALI-UHFFFAOYSA-N
MW479.81 g/mol
LogP3.51
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55923201) has the molecular formula C21H24BrClN4O2 and a molecular weight of 479.81 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55923201
Molecular FormulaC21H24BrClN4O2
Molecular Weight479.81 g/mol
Exact Mass478.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H24BrClN4O2/c22-17-3-6-19(25-13-17)26-21(29)16-8-11-27(12-9-16)14-20(28)24-10-7-15-1-4-18(23)5-2-15/h1-6,13,16H,7-12,14H2,(H,24,28)(H,25,26,29)
InChIKeyWCXNTXUTNKQALI-UHFFFAOYSA-N
XLogP3.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548261
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548387
1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905062
N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 60523047
N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 56525515
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56509260
N-(5-bromo-2-pyridinyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 55922689

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 55923201) is N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WCXNTXUTNKQALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN4O2/c22-17-3-6-19(25-13-17)26-21(29)16-8-11-27(12-9-16)14-20(28)24-10-7-15-1-4-18(23)5-2-15/h1-6,13,16H,7-12,14H2,(H,24,28)(H,25,26,29).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 479.81 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55923201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).