5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C14H15BrN4O — CID 62248877

IUPAC5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Br)cnc2NN)cc1
InChIInChI=1S/C14H15BrN4O/c1-9-2-4-10(5-3-9)7-18-14(20)12-6-11(15)8-17-13(12)19-16/h2-6,8H,7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyYGYRSAAOBBNXLV-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.37
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 62248877) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID62248877
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Br)cnc2NN)cc1
InChIInChI=1S/C14H15BrN4O/c1-9-2-4-10(5-3-9)7-18-14(20)12-6-11(15)8-17-13(12)19-16/h2-6,8H,7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyYGYRSAAOBBNXLV-UHFFFAOYSA-N
XLogP2.37
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425
5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62241265
5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338
5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62248977
5-bromo-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 62248272
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62238180
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 62248877) is 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cc(Br)cnc2NN)cc1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YGYRSAAOBBNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9-2-4-10(5-3-9)7-18-14(20)12-6-11(15)8-17-13(12)19-16/h2-6,8H,7,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62248877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).