2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide

C11H12BrN5O — CID 62186174

IUPAC2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCCn1cccn1
InChIInChI=1S/C11H12BrN5O/c12-8-6-9(10(13)15-7-8)11(18)14-3-5-17-4-1-2-16-17/h1-2,4,6-7H,3,5H2,(H2,13,15)(H,14,18)
InChIKeyZQTHDPOALYMRCK-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide (PubChem CID 62186174) has the molecular formula C11H12BrN5O and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
PubChem CID62186174
Molecular FormulaC11H12BrN5O
Molecular Weight310.15 g/mol
Exact Mass309.02
IUPAC Name2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCCn1cccn1
InChIInChI=1S/C11H12BrN5O/c12-8-6-9(10(13)15-7-8)11(18)14-3-5-17-4-1-2-16-17/h1-2,4,6-7H,3,5H2,(H2,13,15)(H,14,18)
InChIKeyZQTHDPOALYMRCK-UHFFFAOYSA-N
XLogP1.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 114089447
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
4-hydrazinyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81256862
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 138028075
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide (CID 62186174) is 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NCCn1cccn1.
What is the InChIKey of 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZQTHDPOALYMRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c12-8-6-9(10(13)15-7-8)11(18)14-3-5-17-4-1-2-16-17/h1-2,4,6-7H,3,5H2,(H2,13,15)(H,14,18).
What are the key properties of 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62186174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).