N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide

C14H13N5O2 — CID 104850047

IUPACN-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(NN)nc1
InChIInChI=1S/C14H13N5O2/c1-21-12-6-9(7-15)2-4-11(12)18-14(20)10-3-5-13(19-16)17-8-10/h2-6,8H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyAUQXLOOBYYUIHM-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.50
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide

N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 104850047) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID104850047
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(NN)nc1
InChIInChI=1S/C14H13N5O2/c1-21-12-6-9(7-15)2-4-11(12)18-14(20)10-3-5-13(19-16)17-8-10/h2-6,8H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyAUQXLOOBYYUIHM-UHFFFAOYSA-N
XLogP1.50
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105387348
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide (CID 104850047) is N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide is COc1cc(C#N)ccc1NC(=O)c1ccc(NN)nc1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is AUQXLOOBYYUIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-12-6-9(7-15)2-4-11(12)18-14(20)10-3-5-13(19-16)17-8-10/h2-6,8H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide?
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 104850047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).