6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane

C17H22ClN5O3 — CID 144625234

IUPAC6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
SMILESCC.CNC(=O)c1cnc(Cl)cc1Nc1cccc(C(=O)NN)c1OC
InChIInChI=1S/C15H16ClN5O3.C2H6/c1-18-14(22)9-7-19-12(16)6-11(9)20-10-5-3-4-8(13(10)24-2)15(23)21-17;1-2/h3-7H,17H2,1-2H3,(H,18,22)(H,19,20)(H,21,23);1-2H3
InChIKeyREJWHPSQFXVYPL-UHFFFAOYSA-N
MW379.85 g/mol
LogP2.48
Rot. Bonds5

About 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane

6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane (PubChem CID 144625234) has the molecular formula C17H22ClN5O3 and a molecular weight of 379.85 g/mol. Its IUPAC name is 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
PubChem CID144625234
Molecular FormulaC17H22ClN5O3
Molecular Weight379.85 g/mol
Exact Mass379.14
IUPAC Name6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
SMILESCC.CNC(=O)c1cnc(Cl)cc1Nc1cccc(C(=O)NN)c1OC
InChIInChI=1S/C15H16ClN5O3.C2H6/c1-18-14(22)9-7-19-12(16)6-11(9)20-10-5-3-4-8(13(10)24-2)15(23)21-17;1-2/h3-7H,17H2,1-2H3,(H,18,22)(H,19,20)(H,21,23);1-2H3
InChIKeyREJWHPSQFXVYPL-UHFFFAOYSA-N
XLogP2.48
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane?
The IUPAC name of 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane (CID 144625234) is 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane?
The canonical SMILES for 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane is CC.CNC(=O)c1cnc(Cl)cc1Nc1cccc(C(=O)NN)c1OC.
What is the InChIKey of 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane?
The InChIKey is REJWHPSQFXVYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O3.C2H6/c1-18-14(22)9-7-19-12(16)6-11(9)20-10-5-3-4-8(13(10)24-2)15(23)21-17;1-2/h3-7H,17H2,1-2H3,(H,18,22)(H,19,20)(H,21,23);1-2H3.
What are the key properties of 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane?
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane has a molecular weight of 379.85 g/mol, XLogP of 2.48, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 144625234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).