5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C15H17BrN4O — CID 62248977

IUPAC5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Br)cnc2NN)cc1
InChIInChI=1S/C15H17BrN4O/c1-9-3-5-11(6-4-9)10(2)19-15(21)13-7-12(16)8-18-14(13)20-17/h3-8,10H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXTUQMRADXFUNFZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.93
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 62248977) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID62248977
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Br)cnc2NN)cc1
InChIInChI=1S/C15H17BrN4O/c1-9-3-5-11(6-4-9)10(2)19-15(21)13-7-12(16)8-18-14(13)20-17/h3-8,10H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXTUQMRADXFUNFZ-UHFFFAOYSA-N
XLogP2.93
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.93
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-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63838972
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62248877
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62236680
5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
CID 62238273
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62406728
5-bromo-N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242736
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81240748
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-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 62248977) is 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(Br)cnc2NN)cc1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is XTUQMRADXFUNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-9-3-5-11(6-4-9)10(2)19-15(21)13-7-12(16)8-18-14(13)20-17/h3-8,10H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.93, 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-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62248977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).