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

C17H19N3O3 — CID 110523602

IUPAC1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H19N3O3/c1-3-11-23-15-9-5-4-7-13(15)12-18-19-16(21)14-8-6-10-20(2)17(14)22/h4-10,12H,3,11H2,1-2H3,(H,19,21)/b18-12-
InChIKeyZJFRXJKJSJFXMJ-PDGQHHTCSA-N
MW313.36 g/mol
LogP1.94
Rot. Bonds6

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

1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 110523602) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID110523602
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H19N3O3/c1-3-11-23-15-9-5-4-7-13(15)12-18-19-16(21)14-8-6-10-20(2)17(14)22/h4-10,12H,3,11H2,1-2H3,(H,19,21)/b18-12-
InChIKeyZJFRXJKJSJFXMJ-PDGQHHTCSA-N
XLogP1.94
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.94
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

2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523793
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524427
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523599
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523605
N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523495
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 110523602) is 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is CCCOc1ccccc1/C=N\NC(=O)c1cccn(C)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is ZJFRXJKJSJFXMJ-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-11-23-15-9-5-4-7-13(15)12-18-19-16(21)14-8-6-10-20(2)17(14)22/h4-10,12H,3,11H2,1-2H3,(H,19,21)/b18-12-.
What are the key properties of 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).