1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

C22H20ClN3O4 — CID 110524267

IUPAC1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1OC
InChIInChI=1S/C22H20ClN3O4/c1-29-19-10-4-7-16(20(19)30-2)13-24-25-21(27)18-9-5-11-26(22(18)28)14-15-6-3-8-17(23)12-15/h3-13H,14H2,1-2H3,(H,25,27)/b24-13-
InChIKeySYPUSGOBRYXVCH-CFRMEGHHSA-N
MW425.87 g/mol
LogP3.33
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110524267) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110524267
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1OC
InChIInChI=1S/C22H20ClN3O4/c1-29-19-10-4-7-16(20(19)30-2)13-24-25-21(27)18-9-5-11-26(22(18)28)14-15-6-3-8-17(23)12-15/h3-13H,14H2,1-2H3,(H,25,27)/b24-13-
InChIKeySYPUSGOBRYXVCH-CFRMEGHHSA-N
XLogP3.33
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523261
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524328
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
1-[(3-chlorophenyl)methyl]-2-oxo-N-[(Z)-(4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524275
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524175
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874511
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523865

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110524267) is 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is COc1cccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1OC.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is SYPUSGOBRYXVCH-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-29-19-10-4-7-16(20(19)30-2)13-24-25-21(27)18-9-5-11-26(22(18)28)14-15-6-3-8-17(23)12-15/h3-13H,14H2,1-2H3,(H,25,27)/b24-13-.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 425.87 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).