1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

C24H31FN4O3 — CID 144869203

IUPAC1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCC/C=C(\N=C/C(C)c1ccc(F)cc1)NC(=O)CN1CCCC(C=O)=C1C(=O)N(C)C
InChIInChI=1S/C24H31FN4O3/c1-5-7-21(26-14-17(2)18-9-11-20(25)12-10-18)27-22(31)15-29-13-6-8-19(16-30)23(29)24(32)28(3)4/h7,9-12,14,16-17H,5-6,8,13,15H2,1-4H3,(H,27,31)/b21-7+,26-14-
InChIKeyWGKNUBLAIURENA-GOBUSBRKSA-N
MW442.54 g/mol
LogP3.00
Rot. Bonds9

About 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 144869203) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID144869203
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCC/C=C(\N=C/C(C)c1ccc(F)cc1)NC(=O)CN1CCCC(C=O)=C1C(=O)N(C)C
InChIInChI=1S/C24H31FN4O3/c1-5-7-21(26-14-17(2)18-9-11-20(25)12-10-18)27-22(31)15-29-13-6-8-19(16-30)23(29)24(32)28(3)4/h7,9-12,14,16-17H,5-6,8,13,15H2,1-4H3,(H,27,31)/b21-7+,26-14-
InChIKeyWGKNUBLAIURENA-GOBUSBRKSA-N
XLogP3.00
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide with MolForge

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Related Compounds

ethane;1-[2-[[(E)-1-[(5-fluoro-3-pyridinyl)methylimino]but-2-en-2-yl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 144869138
5-formyl-N,N-dimethyl-1-[2-[[5-(5-methylpyrazin-2-yl)-2-pyridinyl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357420
N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357045
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 55627178
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
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CID 8703887
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55950499
N-butan-2-yl-2-[4-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 134019653
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide (CID 144869203) is 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide is CC/C=C(\N=C/C(C)c1ccc(F)cc1)NC(=O)CN1CCCC(C=O)=C1C(=O)N(C)C.
What is the InChIKey of 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is WGKNUBLAIURENA-GOBUSBRKSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-5-7-21(26-14-17(2)18-9-11-20(25)12-10-18)27-22(31)15-29-13-6-8-19(16-30)23(29)24(32)28(3)4/h7,9-12,14,16-17H,5-6,8,13,15H2,1-4H3,(H,27,31)/b21-7+,26-14-.
What are the key properties of 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(Z)-1-[(Z)-2-(4-fluorophenyl)propylideneamino]but-1-enyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 144869203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).