(5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide

C28H39FN4O2 — CID 118603294

IUPAC(5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide
SMILESC=c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n(C(C)C2CCN(CCF)CC2)/c1=C/C=C\C
InChIInChI=1S/C28H39FN4O2/c1-7-8-9-25-20(4)26(28(35)30-17-24-18(2)16-19(3)31-27(24)34)22(6)33(25)21(5)23-10-13-32(14-11-23)15-12-29/h7-9,16,21,23H,4,10-15,17H2,1-3,5-6H3,(H,30,35)(H,31,34)/b8-7-,25-9+
InChIKeySRLLTKZSBKRHMZ-YENULNOUSA-N
MW482.64 g/mol
LogP3.04
Rot. Bonds8

About (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide

(5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide (PubChem CID 118603294) has the molecular formula C28H39FN4O2 and a molecular weight of 482.64 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide
PubChem CID118603294
Molecular FormulaC28H39FN4O2
Molecular Weight482.64 g/mol
Exact Mass482.31
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide
SMILESC=c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n(C(C)C2CCN(CCF)CC2)/c1=C/C=C\C
InChIInChI=1S/C28H39FN4O2/c1-7-8-9-25-20(4)26(28(35)30-17-24-18(2)16-19(3)31-27(24)34)22(6)33(25)21(5)23-10-13-32(14-11-23)15-12-29/h7-9,16,21,23H,4,10-15,17H2,1-3,5-6H3,(H,30,35)(H,31,34)/b8-7-,25-9+
InChIKeySRLLTKZSBKRHMZ-YENULNOUSA-N
XLogP3.04
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide (CID 118603294) is (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide is C=c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n(C(C)C2CCN(CCF)CC2)/c1=C/C=C\C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide?
The InChIKey is SRLLTKZSBKRHMZ-YENULNOUSA-N. The full InChI is InChI=1S/C28H39FN4O2/c1-7-8-9-25-20(4)26(28(35)30-17-24-18(2)16-19(3)31-27(24)34)22(6)33(25)21(5)23-10-13-32(14-11-23)15-12-29/h7-9,16,21,23H,4,10-15,17H2,1-3,5-6H3,(H,30,35)(H,31,34)/b8-7-,25-9+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide?
(5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide has a molecular weight of 482.64 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide is sourced from PubChem (CID 118603294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).