N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide

C14H14BrClN4O — CID 62237377

IUPACN-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(NN)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrClN4O/c1-8(9-3-2-4-11(15)5-9)19-14(21)10-6-12(16)13(20-17)18-7-10/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyBPAMQLMFSYQINK-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide

N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide (PubChem CID 62237377) has the molecular formula C14H14BrClN4O and a molecular weight of 369.65 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide
PubChem CID62237377
Molecular FormulaC14H14BrClN4O
Molecular Weight369.65 g/mol
Exact Mass368.00
IUPAC NameN-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(NN)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrClN4O/c1-8(9-3-2-4-11(15)5-9)19-14(21)10-6-12(16)13(20-17)18-7-10/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyBPAMQLMFSYQINK-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

5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
N-[1-(3-bromophenyl)ethyl]-5-carbamothioylpyridine-2-carboxamide
CID 63748669
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
5-chloro-6-hydrazinyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243839
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide
CID 62237380
5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
5-chloro-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 62249621
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide (CID 62237377) is N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide is CC(NC(=O)c1cnc(NN)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is BPAMQLMFSYQINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4O/c1-8(9-3-2-4-11(15)5-9)19-14(21)10-6-12(16)13(20-17)18-7-10/h2-8H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide?
N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-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]-5-chloro-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62237377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).