5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide

C15H17BrN4O — CID 62238180

IUPAC5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H17BrN4O/c16-12-9-13(14(20-17)19-10-12)15(21)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,17H2,(H,18,21)(H,19,20)
InChIKeyVJLAHSJQKRMTBX-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.49
Rot. Bonds6

About 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 62238180) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID62238180
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H17BrN4O/c16-12-9-13(14(20-17)19-10-12)15(21)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,17H2,(H,18,21)(H,19,20)
InChIKeyVJLAHSJQKRMTBX-UHFFFAOYSA-N
XLogP2.49
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 113328075
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62241265
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62248877
5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
5-bromo-2-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 62236794
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 62238180) is 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is VJLAHSJQKRMTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-12-9-13(14(20-17)19-10-12)15(21)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,17H2,(H,18,21)(H,19,20).
What are the key properties of 5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.49, 6 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-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62238180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).