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

C13H10ClN5O — CID 62248864

IUPAC5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(NN)c(Cl)c2)cc1
InChIInChI=1S/C13H10ClN5O/c14-11-5-9(7-17-12(11)19-16)13(20)18-10-3-1-8(6-15)2-4-10/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyDCTUXQSBIBHCIM-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.14
Rot. Bonds3

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

5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 62248864) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID62248864
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(NN)c(Cl)c2)cc1
InChIInChI=1S/C13H10ClN5O/c14-11-5-9(7-17-12(11)19-16)13(20)18-10-3-1-8(6-15)2-4-10/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyDCTUXQSBIBHCIM-UHFFFAOYSA-N
XLogP2.14
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.14
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

5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62269659
5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62249046
5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107623148
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
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
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide (CID 62248864) is 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cnc(NN)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is DCTUXQSBIBHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-11-5-9(7-17-12(11)19-16)13(20)18-10-3-1-8(6-15)2-4-10/h1-5,7H,16H2,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62248864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).