N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide

C14H15BrN4O — CID 105071856

IUPACN-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1NN)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN4O/c1-9(10-2-4-11(15)5-3-10)18-14(20)12-6-7-17-8-13(12)19-16/h2-9,19H,16H2,1H3,(H,18,20)
InChIKeyYDIBHHPYQCKMSX-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.62
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide

N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide (PubChem CID 105071856) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
PubChem CID105071856
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1NN)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN4O/c1-9(10-2-4-11(15)5-3-10)18-14(20)12-6-7-17-8-13(12)19-16/h2-9,19H,16H2,1H3,(H,18,20)
InChIKeyYDIBHHPYQCKMSX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

N-[1-(dimethylamino)propan-2-yl]-3-hydrazinylpyridine-4-carboxamide
CID 105072402
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81240748
N-[1-(4-bromophenyl)ethyl]isoquinoline-4-carboxamide
CID 87023885
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-hexan-3-yl-3-hydrazinylpyridine-4-carboxamide
CID 105071655
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
3-hydrazinyl-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 105072451
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide (CID 105071856) is N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide is CC(NC(=O)c1ccncc1NN)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide?
The InChIKey is YDIBHHPYQCKMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9(10-2-4-11(15)5-3-10)18-14(20)12-6-7-17-8-13(12)19-16/h2-9,19H,16H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide?
N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105071856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).