N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide

C15H11ClN6O — CID 53474279

IUPACN-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2Cl)nn1)c1ccncc1
InChIInChI=1S/C15H11ClN6O/c16-13-3-1-2-4-14(13)22-10-12(19-21-22)9-18-20-15(23)11-5-7-17-8-6-11/h1-10H,(H,20,23)/b18-9+
InChIKeyMCTIOKJPYILRFM-GIJQJNRQSA-N
MW326.75 g/mol
LogP2.08
Rot. Bonds4

About N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 53474279) has the molecular formula C15H11ClN6O and a molecular weight of 326.75 g/mol. Its IUPAC name is N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID53474279
Molecular FormulaC15H11ClN6O
Molecular Weight326.75 g/mol
Exact Mass326.07
IUPAC NameN-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2Cl)nn1)c1ccncc1
InChIInChI=1S/C15H11ClN6O/c16-13-3-1-2-4-14(13)22-10-12(19-21-22)9-18-20-15(23)11-5-7-17-8-6-11/h1-10H,(H,20,23)/b18-9+
InChIKeyMCTIOKJPYILRFM-GIJQJNRQSA-N
XLogP2.08
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-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-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 2333321
N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6900980
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 135578751
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1022163
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[[4-(N-methylanilino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5149584

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide (CID 53474279) is N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cn(-c2ccccc2Cl)nn1)c1ccncc1.
What is the InChIKey of N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is MCTIOKJPYILRFM-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H11ClN6O/c16-13-3-1-2-4-14(13)22-10-12(19-21-22)9-18-20-15(23)11-5-7-17-8-6-11/h1-10H,(H,20,23)/b18-9+.
What are the key properties of N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 326.75 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(2-chlorophenyl)triazol-4-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 53474279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).