2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide

C15H16BrN3O — CID 64694166

IUPAC2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H16BrN3O/c1-2-10-5-3-4-6-11(10)8-19-15(20)13-7-12(16)9-18-14(13)17/h3-7,9H,2,8H2,1H3,(H2,17,18)(H,19,20)
InChIKeyLPYXWKGIUVIRRN-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.92
Rot. Bonds4

About 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 64694166) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
PubChem CID64694166
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H16BrN3O/c1-2-10-5-3-4-6-11(10)8-19-15(20)13-7-12(16)9-18-14(13)17/h3-7,9H,2,8H2,1H3,(H2,17,18)(H,19,20)
InChIKeyLPYXWKGIUVIRRN-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82743986
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CID 62152678
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
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2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 62185478
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide (CID 64694166) is 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide is CCc1ccccc1CNC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is LPYXWKGIUVIRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-10-5-3-4-6-11(10)8-19-15(20)13-7-12(16)9-18-14(13)17/h3-7,9H,2,8H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 64694166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).