N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide

C15H17ClN4O — CID 105072124

IUPACN-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccncc1NN
InChIInChI=1S/C15H17ClN4O/c1-10(11-5-3-4-6-13(11)16)20(2)15(21)12-7-8-18-9-14(12)19-17/h3-10,19H,17H2,1-2H3
InChIKeyYTLDLSIVBUWZLE-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.85
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide

N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide (PubChem CID 105072124) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide
PubChem CID105072124
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccncc1NN
InChIInChI=1S/C15H17ClN4O/c1-10(11-5-3-4-6-13(11)16)20(2)15(21)12-7-8-18-9-14(12)19-17/h3-10,19H,17H2,1-2H3
InChIKeyYTLDLSIVBUWZLE-UHFFFAOYSA-N
XLogP2.85
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.85
H-Bond Donors ≤ 52
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

2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide
CID 965557
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3734474
6-chloro-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877512
(3E)-N-(3-chloro-4-methylphenyl)-3-methyl-4-(4-pyridylcarbonylamino)-4-azabut-3-enamide
CID 9591362
2-[1-(6-chloropyridin-3-yl)-N-methylformamido]-N-(4-methylphenyl)acetamide
CID 2109611
N'-[1-(4-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4566098
2-chloro-N'-(3-chlorophenyl)nicotinohydrazide
CID 1211493
[1-(2-Chlorophenyl)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
CID 4847262
2'-[1-(2,4-Dichlorophenyl)ethyl]isonicotinohydrazide
CID 383896
Isonicotinic acid, 2-(2-((2,4-dichlorobenzyl)carbamoyl)ethyl)hydrazide
CID 25595
Isonicotinic acid, 2-(2-((p-chlorobenzyl)carbamoyl)ethyl)hydrazide
CID 25598

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide (CID 105072124) is N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide is CC(c1ccccc1Cl)N(C)C(=O)c1ccncc1NN.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide?
The InChIKey is YTLDLSIVBUWZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(11-5-3-4-6-13(11)16)20(2)15(21)12-7-8-18-9-14(12)19-17/h3-10,19H,17H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105072124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).