N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

C23H23N3O4 — CID 110523456

IUPACN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccn(C)c2=O)ccc1OCc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-3-29-21-14-18(11-12-20(21)30-16-17-8-5-4-6-9-17)15-24-25-22(27)19-10-7-13-26(2)23(19)28/h4-15H,3,16H2,1-2H3,(H,25,27)/b24-15-
InChIKeyFRVKJCGPDHDDAL-IWIPYMOSSA-N
MW405.45 g/mol
LogP3.13
Rot. Bonds8

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

N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 110523456) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID110523456
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccn(C)c2=O)ccc1OCc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-3-29-21-14-18(11-12-20(21)30-16-17-8-5-4-6-9-17)15-24-25-22(27)19-10-7-13-26(2)23(19)28/h4-15H,3,16H2,1-2H3,(H,25,27)/b24-15-
InChIKeyFRVKJCGPDHDDAL-IWIPYMOSSA-N
XLogP3.13
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.13
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-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523547
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523258
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 94831748
N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523495
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
1-benzyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874487
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523233
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (CID 110523456) is N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is CCOc1cc(/C=N\NC(=O)c2cccn(C)c2=O)ccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FRVKJCGPDHDDAL-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-29-21-14-18(11-12-20(21)30-16-17-8-5-4-6-9-17)15-24-25-22(27)19-10-7-13-26(2)23(19)28/h4-15H,3,16H2,1-2H3,(H,25,27)/b24-15-.
What are the key properties of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).