2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide

C19H16ClN3O2 — CID 101113379

IUPAC2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=C(N)N(c2ccc(Cl)cc2)C=C(C=O)C1c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-14-6-8-15(9-7-14)23-10-13(11-24)16(12-4-2-1-3-5-12)17(18(23)21)19(22)25/h1-11,16H,21H2,(H2,22,25)
InChIKeyMMANUXUFWSQOCV-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide

2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide (PubChem CID 101113379) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide
PubChem CID101113379
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=C(N)N(c2ccc(Cl)cc2)C=C(C=O)C1c1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-14-6-8-15(9-7-14)23-10-13(11-24)16(12-4-2-1-3-5-12)17(18(23)21)19(22)25/h1-11,16H,21H2,(H2,22,25)
InChIKeyMMANUXUFWSQOCV-UHFFFAOYSA-N
XLogP2.68
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide (CID 101113379) is 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide is NC(=O)C1=C(N)N(c2ccc(Cl)cc2)C=C(C=O)C1c1ccccc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
The InChIKey is MMANUXUFWSQOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-6-8-15(9-7-14)23-10-13(11-24)16(12-4-2-1-3-5-12)17(18(23)21)19(22)25/h1-11,16H,21H2,(H2,22,25).
What are the key properties of 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)-5-formyl-4-phenyl-4H-pyridine-3-carboxamide is sourced from PubChem (CID 101113379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).