2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide

C20H19N3O2 — CID 11163405

IUPAC2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=C(N)N(Cc2ccccc2)C=C(C=O)C1c1ccccc1
InChIInChI=1S/C20H19N3O2/c21-19-18(20(22)25)17(15-9-5-2-6-10-15)16(13-24)12-23(19)11-14-7-3-1-4-8-14/h1-10,12-13,17H,11,21H2,(H2,22,25)
InChIKeyUFEWVDFKLBNPAI-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide

2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide (PubChem CID 11163405) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide
PubChem CID11163405
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=C(N)N(Cc2ccccc2)C=C(C=O)C1c1ccccc1
InChIInChI=1S/C20H19N3O2/c21-19-18(20(22)25)17(15-9-5-2-6-10-15)16(13-24)12-23(19)11-14-7-3-1-4-8-14/h1-10,12-13,17H,11,21H2,(H2,22,25)
InChIKeyUFEWVDFKLBNPAI-UHFFFAOYSA-N
XLogP2.02
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 44248700
1,5-Dibenzylpyrimidine-2,4(1H,3H)-dione
CID 308735
1-benzyl-4-(4-phenylphenyl)-4H-pyridine-3,5-dicarboxamide
CID 155531240
1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxamide
CID 155551400
4-[(2S)-3-benzoyl-6-oxo-2-propan-2-yl-1,2-dihydropyrimidin-5-yl]benzaldehyde
CID 50908197
1,1'-Dibenzyl-1,1',4,4'-tetrahydro-[4,4'-bipyridine]-3,3'-dicarboxamide
CID 12436460
2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide
CID 91269199
1-Benzyl-4-oxo-2-(2-oxo-1-phenylethyl)-2,3-dihydropyridine-5-carboxamide
CID 91369715
4-[[[(E)-1-(benzylamino)-2-(4-oxo-1H-pyridin-3-yl)ethenyl]amino]methyl]cyclohexane-1-carbaldehyde
CID 126634252
1-Benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione
CID 139891662
1-methyl-2,4-diphenyl-4H-pyridine-3-carboxamide
CID 174274985
3-(1-Benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-methylpropanal
CID 178111712

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide (CID 11163405) is 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide is NC(=O)C1=C(N)N(Cc2ccccc2)C=C(C=O)C1c1ccccc1.
What is the InChIKey of 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
The InChIKey is UFEWVDFKLBNPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-19-18(20(22)25)17(15-9-5-2-6-10-15)16(13-24)12-23(19)11-14-7-3-1-4-8-14/h1-10,12-13,17H,11,21H2,(H2,22,25).
What are the key properties of 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide?
2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-benzyl-5-formyl-4-phenyl-4H-pyridine-3-carboxamide is sourced from PubChem (CID 11163405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).