N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide

C13H10N3O2- — CID 21204174

IUPACN-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1/C=N\[O-])c1cccnc1
InChIInChI=1S/C13H11N3O2/c17-13(11-5-3-7-14-8-11)16-12-6-2-1-4-10(12)9-15-18/h1-9,18H,(H,16,17)/p-1/b15-9-
InChIKeyUJRYNKUNOZZPLI-DHDCSXOGSA-M
MW240.24 g/mol
LogP2.25
Rot. Bonds3

About N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide

N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide (PubChem CID 21204174) has the molecular formula C13H10N3O2- and a molecular weight of 240.24 g/mol. Its IUPAC name is N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide
PubChem CID21204174
Molecular FormulaC13H10N3O2-
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC NameN-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1/C=N\[O-])c1cccnc1
InChIInChI=1S/C13H11N3O2/c17-13(11-5-3-7-14-8-11)16-12-6-2-1-4-10(12)9-15-18/h1-9,18H,(H,16,17)/p-1/b15-9-
InChIKeyUJRYNKUNOZZPLI-DHDCSXOGSA-M
XLogP2.25
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide (CID 21204174) is N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1/C=N\[O-])c1cccnc1.
What is the InChIKey of N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is UJRYNKUNOZZPLI-DHDCSXOGSA-M. The full InChI is InChI=1S/C13H11N3O2/c17-13(11-5-3-7-14-8-11)16-12-6-2-1-4-10(12)9-15-18/h1-9,18H,(H,16,17)/p-1/b15-9-.
What are the key properties of N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide?
N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 240.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 21204174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).