N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

C16H16ClN3O3 — CID 110523547

IUPACN-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-3-23-14-7-6-11(9-13(14)17)10-18-19-15(21)12-5-4-8-20(2)16(12)22/h4-10H,3H2,1-2H3,(H,19,21)/b18-10-
InChIKeyDTPNVQDBRJDQKQ-ZDLGFXPLSA-N
MW333.78 g/mol
LogP2.20
Rot. Bonds5

About N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 110523547) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID110523547
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-3-23-14-7-6-11(9-13(14)17)10-18-19-15(21)12-5-4-8-20(2)16(12)22/h4-10H,3H2,1-2H3,(H,19,21)/b18-10-
InChIKeyDTPNVQDBRJDQKQ-ZDLGFXPLSA-N
XLogP2.20
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.20
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

N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524027
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523456
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523735
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523495
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523466
1-benzyl-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523889
1-[(2-chlorophenyl)methyl]-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524367
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523233
1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523605
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523722
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (CID 110523547) is N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is CCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1Cl.
What is the InChIKey of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is DTPNVQDBRJDQKQ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-3-23-14-7-6-11(9-13(14)17)10-18-19-15(21)12-5-4-8-20(2)16(12)22/h4-10H,3H2,1-2H3,(H,19,21)/b18-10-.
What are the key properties of N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).