N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C16H17N3O4 — CID 5339935

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1OC
InChIInChI=1S/C16H17N3O4/c1-19-10-12(7-8-14(19)20)16(21)18-17-9-11-5-4-6-13(22-2)15(11)23-3/h4-10H,1-3H3,(H,18,21)/b17-9+
InChIKeyUMWPJEZHZXDGIN-RQZCQDPDSA-N
MW315.33 g/mol
LogP1.17
Rot. Bonds5

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 5339935) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID5339935
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1OC
InChIInChI=1S/C16H17N3O4/c1-19-10-12(7-8-14(19)20)16(21)18-17-9-11-5-4-6-13(22-2)15(11)23-3/h4-10H,1-3H3,(H,18,21)/b17-9+
InChIKeyUMWPJEZHZXDGIN-RQZCQDPDSA-N
XLogP1.17
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 5339935) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is COc1cccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is UMWPJEZHZXDGIN-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-19-10-12(7-8-14(19)20)16(21)18-17-9-11-5-4-6-13(22-2)15(11)23-3/h4-10H,1-3H3,(H,18,21)/b17-9+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 5339935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).