N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide

C14H14BrClN4O — CID 62237380

IUPACN-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide
SMILESCC(NC(=O)c1nc(NN)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H14BrClN4O/c1-8(9-3-2-4-10(15)7-9)18-14(21)13-11(16)5-6-12(19-13)20-17/h2-8H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyOAKZBAFEEVUOBS-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide

N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62237380) has the molecular formula C14H14BrClN4O and a molecular weight of 369.65 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide
PubChem CID62237380
Molecular FormulaC14H14BrClN4O
Molecular Weight369.65 g/mol
Exact Mass368.00
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide
SMILESCC(NC(=O)c1nc(NN)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H14BrClN4O/c1-8(9-3-2-4-10(15)7-9)18-14(21)13-11(16)5-6-12(19-13)20-17/h2-8H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyOAKZBAFEEVUOBS-UHFFFAOYSA-N
XLogP3.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.27
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

3-chloro-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62248813
N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide
CID 62237377
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62247454
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide
CID 71882048
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
3-chloro-6-hydrazinyl-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 62249778
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55115157
3-chloro-N-(3,4-dichlorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235808

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide (CID 62237380) is N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide is CC(NC(=O)c1nc(NN)ccc1Cl)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is OAKZBAFEEVUOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4O/c1-8(9-3-2-4-10(15)7-9)18-14(21)13-11(16)5-6-12(19-13)20-17/h2-8H,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide?
N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 369.65 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62237380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).