2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide

C18H17FN4O3 — CID 91970293

IUPAC2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide
SMILESCOCc1cc(C)n(CC(=O)NN=Cc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C18H17FN4O3/c1-12-7-14(11-26-2)16(8-20)18(25)23(12)10-17(24)22-21-9-13-3-5-15(19)6-4-13/h3-7,9H,10-11H2,1-2H3,(H,22,24)
InChIKeyPPVBZTDGEXMNAH-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.46
Rot. Bonds6

About 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide (PubChem CID 91970293) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide
PubChem CID91970293
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide
SMILESCOCc1cc(C)n(CC(=O)NN=Cc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C18H17FN4O3/c1-12-7-14(11-26-2)16(8-20)18(25)23(12)10-17(24)22-21-9-13-3-5-15(19)6-4-13/h3-7,9H,10-11H2,1-2H3,(H,22,24)
InChIKeyPPVBZTDGEXMNAH-UHFFFAOYSA-N
XLogP1.46
TPSA96.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.46
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

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 75123791
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]acetamide
CID 98005129
methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126011575
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]acetamide
CID 3682645
methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 26368110
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 136700931
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 126003224
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 126416871
N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 126375912
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(4-methylphenyl)methylideneamino]acetamide
CID 1040222
1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 752064

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide (CID 91970293) is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide is COCc1cc(C)n(CC(=O)NN=Cc2ccc(F)cc2)c(=O)c1C#N.
What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is PPVBZTDGEXMNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-12-7-14(11-26-2)16(8-20)18(25)23(12)10-17(24)22-21-9-13-3-5-15(19)6-4-13/h3-7,9H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide?
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 356.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 91970293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).