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

C21H25BrN4O2 — CID 60548261

IUPACN-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C21H25BrN4O2/c1-2-15-3-6-18(7-4-15)24-20(27)14-26-11-9-16(10-12-26)21(28)25-19-8-5-17(22)13-23-19/h3-8,13,16H,2,9-12,14H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyWORPKQINIMMTAI-UHFFFAOYSA-N
MW445.36 g/mol
LogP3.70
Rot. Bonds6

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

N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 60548261) has the molecular formula C21H25BrN4O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID60548261
Molecular FormulaC21H25BrN4O2
Molecular Weight445.36 g/mol
Exact Mass444.12
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C21H25BrN4O2/c1-2-15-3-6-18(7-4-15)24-20(27)14-26-11-9-16(10-12-26)21(28)25-19-8-5-17(22)13-23-19/h3-8,13,16H,2,9-12,14H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyWORPKQINIMMTAI-UHFFFAOYSA-N
XLogP3.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
N-(5-bromo-2-pyridinyl)-1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816601
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 55923201
N-(5-bromo-2-pyridinyl)-1-[3-(4-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 55922044
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
N-(5-bromo-2-pyridinyl)-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816727
1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 120847825
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 55922690
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-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548387

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 60548261) is N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide is CCc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WORPKQINIMMTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O2/c1-2-15-3-6-18(7-4-15)24-20(27)14-26-11-9-16(10-12-26)21(28)25-19-8-5-17(22)13-23-19/h3-8,13,16H,2,9-12,14H2,1H3,(H,24,27)(H,23,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 3.70, 6 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-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 60548261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).