6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide

C18H16BrN5O3 — CID 71766016

IUPAC6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)c1=O
InChIInChI=1S/C18H16BrN5O3/c1-10-16(21-11(2)25)18(27)24(23-10)15-8-3-12(9-20-15)17(26)22-14-6-4-13(19)5-7-14/h3-9,23H,1-2H3,(H,21,25)(H,22,26)
InChIKeyJHKZTMQALXECOK-UHFFFAOYSA-N
MW430.26 g/mol
LogP2.84
Rot. Bonds4

About 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide

6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide (PubChem CID 71766016) has the molecular formula C18H16BrN5O3 and a molecular weight of 430.26 g/mol. Its IUPAC name is 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide
PubChem CID71766016
Molecular FormulaC18H16BrN5O3
Molecular Weight430.26 g/mol
Exact Mass429.04
IUPAC Name6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)c1=O
InChIInChI=1S/C18H16BrN5O3/c1-10-16(21-11(2)25)18(27)24(23-10)15-8-3-12(9-20-15)17(26)22-14-6-4-13(19)5-7-14/h3-9,23H,1-2H3,(H,21,25)(H,22,26)
InChIKeyJHKZTMQALXECOK-UHFFFAOYSA-N
XLogP2.84
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 71766017
N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide
CID 148829808
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
5-N-(4-bromophenyl)pyridine-2,5-dicarboxamide
CID 47460208
4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
CID 59407031
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-(4-acetamidophenyl)-6-aminopyridine-3-carboxamide
CID 110861506
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide (CID 71766016) is 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide is CC(=O)Nc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)c1=O.
What is the InChIKey of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide?
The InChIKey is JHKZTMQALXECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O3/c1-10-16(21-11(2)25)18(27)24(23-10)15-8-3-12(9-20-15)17(26)22-14-6-4-13(19)5-7-14/h3-9,23H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide?
6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide has a molecular weight of 430.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 71766016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).