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

C23H22ClN3O3 — CID 110524427

IUPAC1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C23H22ClN3O3/c1-2-14-30-21-12-6-4-8-17(21)15-25-26-22(28)19-10-7-13-27(23(19)29)16-18-9-3-5-11-20(18)24/h3-13,15H,2,14,16H2,1H3,(H,26,28)/b25-15-
InChIKeyVXYMFDIVQBRNML-MYYYXRDXSA-N
MW423.90 g/mol
LogP4.10
Rot. Bonds8

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

1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 110524427) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID110524427
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C23H22ClN3O3/c1-2-14-30-21-12-6-4-8-17(21)15-25-26-22(28)19-10-7-13-27(23(19)29)16-18-9-3-5-11-20(18)24/h3-13,15H,2,14,16H2,1H3,(H,26,28)/b25-15-
InChIKeyVXYMFDIVQBRNML-MYYYXRDXSA-N
XLogP4.10
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.10
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

1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524447
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524431
2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523793
1-[(2-chlorophenyl)methyl]-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524367
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524425
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110524357
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 110524427) is 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is CCCOc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is VXYMFDIVQBRNML-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-2-14-30-21-12-6-4-8-17(21)15-25-26-22(28)19-10-7-13-27(23(19)29)16-18-9-3-5-11-20(18)24/h3-13,15H,2,14,16H2,1H3,(H,26,28)/b25-15-.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110524427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).