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

C20H19N3O2 — CID 101113380

IUPAC2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide
SMILESCc1ccc(N2C=C(C=O)C(c3ccccc3)C(C(N)=O)=C2N)cc1
InChIInChI=1S/C20H19N3O2/c1-13-7-9-16(10-8-13)23-11-15(12-24)17(14-5-3-2-4-6-14)18(19(23)21)20(22)25/h2-12,17H,21H2,1H3,(H2,22,25)
InChIKeyQMIRNNIVAXJXQW-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.34
Rot. Bonds4

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

2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide (PubChem CID 101113380) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide
PubChem CID101113380
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide
SMILESCc1ccc(N2C=C(C=O)C(c3ccccc3)C(C(N)=O)=C2N)cc1
InChIInChI=1S/C20H19N3O2/c1-13-7-9-16(10-8-13)23-11-15(12-24)17(14-5-3-2-4-6-14)18(19(23)21)20(22)25/h2-12,17H,21H2,1H3,(H2,22,25)
InChIKeyQMIRNNIVAXJXQW-UHFFFAOYSA-N
XLogP2.34
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide (CID 101113380) is 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide is Cc1ccc(N2C=C(C=O)C(c3ccccc3)C(C(N)=O)=C2N)cc1.
What is the InChIKey of 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide?
The InChIKey is QMIRNNIVAXJXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-7-9-16(10-8-13)23-11-15(12-24)17(14-5-3-2-4-6-14)18(19(23)21)20(22)25/h2-12,17H,21H2,1H3,(H2,22,25).
What are the key properties of 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide?
2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-formyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxamide is sourced from PubChem (CID 101113380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).