2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide

C17H13BrCl2N4O2 — CID 55640204

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13BrCl2N4O2/c18-12-2-4-17(26)23(9-12)10-16(25)22-15-5-6-21-24(15)8-11-1-3-13(19)7-14(11)20/h1-7,9H,8,10H2,(H,22,25)
InChIKeyKCMBGGPYEKNNHG-UHFFFAOYSA-N
MW456.13 g/mol
LogP3.80
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 55640204) has the molecular formula C17H13BrCl2N4O2 and a molecular weight of 456.13 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID55640204
Molecular FormulaC17H13BrCl2N4O2
Molecular Weight456.13 g/mol
Exact Mass453.96
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13BrCl2N4O2/c18-12-2-4-17(26)23(9-12)10-16(25)22-15-5-6-21-24(15)8-11-1-3-13(19)7-14(11)20/h1-7,9H,8,10H2,(H,22,25)
InChIKeyKCMBGGPYEKNNHG-UHFFFAOYSA-N
XLogP3.80
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 26217336
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467
N-(2-amino-5-chlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28532600
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55870787
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 16568057
N-(2-amino-4,6-dichlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28552043
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248287
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 55640204) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cn1cc(Br)ccc1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is KCMBGGPYEKNNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N4O2/c18-12-2-4-17(26)23(9-12)10-16(25)22-15-5-6-21-24(15)8-11-1-3-13(19)7-14(11)20/h1-7,9H,8,10H2,(H,22,25).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 456.13 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55640204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).