N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

C19H22ClN3O4 — CID 110523722

IUPACN-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)cc(Cl)c1OC
InChIInChI=1S/C19H22ClN3O4/c1-5-27-16-10-13(9-15(20)17(16)26-4)11-21-22-18(24)14-7-6-8-23(12(2)3)19(14)25/h6-12H,5H2,1-4H3,(H,22,24)/b21-11-
InChIKeyQRLHZFBICPWFDL-NHDPSOOVSA-N
MW391.86 g/mol
LogP3.25
Rot. Bonds7

About N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 110523722) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID110523722
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC NameN-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)cc(Cl)c1OC
InChIInChI=1S/C19H22ClN3O4/c1-5-27-16-10-13(9-15(20)17(16)26-4)11-21-22-18(24)14-7-6-8-23(12(2)3)19(14)25/h6-12H,5H2,1-4H3,(H,22,24)/b21-11-
InChIKeyQRLHZFBICPWFDL-NHDPSOOVSA-N
XLogP3.25
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.25
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

N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523727
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523735
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523641
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523466
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 136874460
N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 136874449
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523689
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523547
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523657

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 110523722) is N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is CCOc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)cc(Cl)c1OC.
What is the InChIKey of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QRLHZFBICPWFDL-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-5-27-16-10-13(9-15(20)17(16)26-4)11-21-22-18(24)14-7-6-8-23(12(2)3)19(14)25/h6-12H,5H2,1-4H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 110523722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).