5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide

C13H12Cl2N4O2 — CID 107623148

IUPAC5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(NN)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c1-21-11-5-8(2-3-9(11)14)18-13(20)7-4-10(15)12(19-16)17-6-7/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyDJQTZXHGDCEQSX-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.93
Rot. Bonds4

About 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide

5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 107623148) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID107623148
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(NN)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c1-21-11-5-8(2-3-9(11)14)18-13(20)7-4-10(15)12(19-16)17-6-7/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyDJQTZXHGDCEQSX-UHFFFAOYSA-N
XLogP2.93
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248864
5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
5-chloro-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 62235361
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
5-chloro-N-(4-chloro-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62176655
N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107622734
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
5-chloro-6-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62249389

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide (CID 107623148) is 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide is COc1cc(NC(=O)c2cnc(NN)c(Cl)c2)ccc1Cl.
What is the InChIKey of 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is DJQTZXHGDCEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c1-21-11-5-8(2-3-9(11)14)18-13(20)7-4-10(15)12(19-16)17-6-7/h2-6H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 107623148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).