5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide

C12H13BrN4O2 — CID 138028075

IUPAC5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
SMILESCn1cc(Br)c(C(=O)NCCn2cccn2)cc1=O
InChIInChI=1S/C12H13BrN4O2/c1-16-8-10(13)9(7-11(16)18)12(19)14-4-6-17-5-2-3-15-17/h2-3,5,7-8H,4,6H2,1H3,(H,14,19)
InChIKeyRBMSMAGEMMLXMY-UHFFFAOYSA-N
MW325.17 g/mol
LogP0.77
Rot. Bonds4

About 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide

5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide (PubChem CID 138028075) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
PubChem CID138028075
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
SMILESCn1cc(Br)c(C(=O)NCCn2cccn2)cc1=O
InChIInChI=1S/C12H13BrN4O2/c1-16-8-10(13)9(7-11(16)18)12(19)14-4-6-17-5-2-3-15-17/h2-3,5,7-8H,4,6H2,1H3,(H,14,19)
InChIKeyRBMSMAGEMMLXMY-UHFFFAOYSA-N
XLogP0.77
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
6-methyl-4-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81240692
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
4-hydrazinyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81256862
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 71860456
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide (CID 138028075) is 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide is Cn1cc(Br)c(C(=O)NCCn2cccn2)cc1=O.
What is the InChIKey of 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is RBMSMAGEMMLXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-16-8-10(13)9(7-11(16)18)12(19)14-4-6-17-5-2-3-15-17/h2-3,5,7-8H,4,6H2,1H3,(H,14,19).
What are the key properties of 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 138028075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).