N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

C20H25N3O4 — CID 110523495

IUPACN-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1OC
InChIInChI=1S/C20H25N3O4/c1-4-5-6-12-27-17-10-9-15(13-18(17)26-3)14-21-22-19(24)16-8-7-11-23(2)20(16)25/h7-11,13-14H,4-6,12H2,1-3H3,(H,22,24)/b21-14-
InChIKeyAIPFASFKODAEIK-STZFKDTASA-N
MW371.44 g/mol
LogP2.73
Rot. Bonds9

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

N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 110523495) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID110523495
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1OC
InChIInChI=1S/C20H25N3O4/c1-4-5-6-12-27-17-10-9-15(13-18(17)26-3)14-21-22-19(24)16-8-7-11-23(2)20(16)25/h7-11,13-14H,4-6,12H2,1-3H3,(H,22,24)/b21-14-
InChIKeyAIPFASFKODAEIK-STZFKDTASA-N
XLogP2.73
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523605
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523513
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523547
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523456
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523233
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 17373127

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (CID 110523495) is N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is CCCCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1OC.
What is the InChIKey of N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is AIPFASFKODAEIK-STZFKDTASA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-5-6-12-27-17-10-9-15(13-18(17)26-3)14-21-22-19(24)16-8-7-11-23(2)20(16)25/h7-11,13-14H,4-6,12H2,1-3H3,(H,22,24)/b21-14-.
What are the key properties of N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).