5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

C21H26FN3O2 — CID 126675407

IUPAC5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESC=C(NC(C)CC)c1cc(C(=O)NC)c(=O)n(Cc2ccc(F)c(C)c2)c1
InChIInChI=1S/C21H26FN3O2/c1-6-14(3)24-15(4)17-10-18(20(26)23-5)21(27)25(12-17)11-16-7-8-19(22)13(2)9-16/h7-10,12,14,24H,4,6,11H2,1-3,5H3,(H,23,26)
InChIKeyIUKOBJBIVDHBMR-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.06
Rot. Bonds7

About 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 126675407) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID126675407
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESC=C(NC(C)CC)c1cc(C(=O)NC)c(=O)n(Cc2ccc(F)c(C)c2)c1
InChIInChI=1S/C21H26FN3O2/c1-6-14(3)24-15(4)17-10-18(20(26)23-5)21(27)25(12-17)11-16-7-8-19(22)13(2)9-16/h7-10,12,14,24H,4,6,11H2,1-3,5H3,(H,23,26)
InChIKeyIUKOBJBIVDHBMR-UHFFFAOYSA-N
XLogP3.06
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-amino-2-methylphenyl)methyl]-5-[1-(butan-2-ylamino)ethenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 126676878
5-N-[[(2R)-2-ethoxycyclopropylidene]-λ3-iodanyl]-1-[(4-fluoro-3-methylphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 145267536
5-N-ethyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 129022652
3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 145267575
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
5-N-cyclobutyl-1-[(4-methoxy-3-methylphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323934
1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676266
butyl 1-[(3-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 126676042
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676131
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
5-N-cyclopropyl-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538194

Frequently Asked Questions

What is the IUPAC name of 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 126675407) is 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is C=C(NC(C)CC)c1cc(C(=O)NC)c(=O)n(Cc2ccc(F)c(C)c2)c1.
What is the InChIKey of 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is IUKOBJBIVDHBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-6-14(3)24-15(4)17-10-18(20(26)23-5)21(27)25(12-17)11-16-7-8-19(22)13(2)9-16/h7-10,12,14,24H,4,6,11H2,1-3,5H3,(H,23,26).
What are the key properties of 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(butan-2-ylamino)ethenyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 126675407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).