N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide

C16H23BrN4O2 — CID 60523047

IUPACN-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
SMILESCCCNC(=O)CN1CCCC(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C16H23BrN4O2/c1-2-7-18-15(22)11-21-8-3-4-12(10-21)16(23)20-14-6-5-13(17)9-19-14/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyUFZXDFNILYVQJT-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.02
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide (PubChem CID 60523047) has the molecular formula C16H23BrN4O2 and a molecular weight of 383.29 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
PubChem CID60523047
Molecular FormulaC16H23BrN4O2
Molecular Weight383.29 g/mol
Exact Mass382.10
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
SMILESCCCNC(=O)CN1CCCC(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C16H23BrN4O2/c1-2-7-18-15(22)11-21-8-3-4-12(10-21)16(23)20-14-6-5-13(17)9-19-14/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyUFZXDFNILYVQJT-UHFFFAOYSA-N
XLogP2.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 60523102
N-(5-bromo-2-pyridinyl)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856093
N-(5-bromo-2-pyridinyl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856982
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95761585
N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 55923201
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55816121
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
N-(5-bromo-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]piperidine-3-carboxamide
CID 55993827
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548261

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide (CID 60523047) is N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide is CCCNC(=O)CN1CCCC(C(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is UFZXDFNILYVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O2/c1-2-7-18-15(22)11-21-8-3-4-12(10-21)16(23)20-14-6-5-13(17)9-19-14/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 2.02, 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-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 60523047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).