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

C20H29BrN4O2 — CID 55922690

IUPACN-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1C(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C20H29BrN4O2/c1-2-17-5-3-4-10-25(17)19(26)14-24-11-8-15(9-12-24)20(27)23-18-7-6-16(21)13-22-18/h6-7,13,15,17H,2-5,8-12,14H2,1H3,(H,22,23,27)
InChIKeySUYSMYAVCFUXQS-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.29
Rot. Bonds5

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

N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55922690) has the molecular formula C20H29BrN4O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55922690
Molecular FormulaC20H29BrN4O2
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1C(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C20H29BrN4O2/c1-2-17-5-3-4-10-25(17)19(26)14-24-11-8-15(9-12-24)20(27)23-18-7-6-16(21)13-22-18/h6-7,13,15,17H,2-5,8-12,14H2,1H3,(H,22,23,27)
InChIKeySUYSMYAVCFUXQS-UHFFFAOYSA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

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1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
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N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
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CID 55816440
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
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methyl 4-[(5-bromo-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
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N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120847820
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CID 95761683
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide (CID 55922690) is N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide is CCC1CCCCN1C(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is SUYSMYAVCFUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN4O2/c1-2-17-5-3-4-10-25(17)19(26)14-24-11-8-15(9-12-24)20(27)23-18-7-6-16(21)13-22-18/h6-7,13,15,17H,2-5,8-12,14H2,1H3,(H,22,23,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 437.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 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-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55922690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).