1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide

C24H25N3O3 — CID 110524066

IUPAC1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C24H25N3O3/c1-3-15-30-22-9-5-4-7-20(22)16-25-26-23(28)21-8-6-14-27(24(21)29)17-19-12-10-18(2)11-13-19/h4-14,16H,3,15,17H2,1-2H3,(H,26,28)/b25-16-
InChIKeyDLJHKSACFJFAHR-XYGWBWBKSA-N
MW403.48 g/mol
LogP3.76
Rot. Bonds8

About 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide

1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 110524066) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID110524066
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C24H25N3O3/c1-3-15-30-22-9-5-4-7-20(22)16-25-26-23(28)21-8-6-14-27(24(21)29)17-19-12-10-18(2)11-13-19/h4-14,16H,3,15,17H2,1-2H3,(H,26,28)/b25-16-
InChIKeyDLJHKSACFJFAHR-XYGWBWBKSA-N
XLogP3.76
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874500
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524427
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523793
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524057
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524027
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524608

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 110524066) is 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is CCCOc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is DLJHKSACFJFAHR-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-15-30-22-9-5-4-7-20(22)16-25-26-23(28)21-8-6-14-27(24(21)29)17-19-12-10-18(2)11-13-19/h4-14,16H,3,15,17H2,1-2H3,(H,26,28)/b25-16-.
What are the key properties of 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110524066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).