5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane

C18H24FN3O — CID 176938915

IUPAC5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane
SMILESCC.Cc1ccc(NC2=C(C(N)=O)C(C3CC3)=CNC2)c(F)c1
InChIInChI=1S/C16H18FN3O.C2H6/c1-9-2-5-13(12(17)6-9)20-14-8-19-7-11(10-3-4-10)15(14)16(18)21;1-2/h2,5-7,10,19-20H,3-4,8H2,1H3,(H2,18,21);1-2H3
InChIKeyIJOKGWIAVWENOQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.21
Rot. Bonds4

About 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane

5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane (PubChem CID 176938915) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane.

Molecular Properties

Compound Name5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane
PubChem CID176938915
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane
SMILESCC.Cc1ccc(NC2=C(C(N)=O)C(C3CC3)=CNC2)c(F)c1
InChIInChI=1S/C16H18FN3O.C2H6/c1-9-2-5-13(12(17)6-9)20-14-8-19-7-11(10-3-4-10)15(14)16(18)21;1-2/h2,5-7,10,19-20H,3-4,8H2,1H3,(H2,18,21);1-2H3
InChIKeyIJOKGWIAVWENOQ-UHFFFAOYSA-N
XLogP3.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(2-fluoro-4-methylanilino)-5-prop-1-ynyl-1,2-dihydropyridine-4-carboxamide
CID 176938954
cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone
CID 176938892
5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide
CID 176938948
2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide
CID 176938951
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
N-(2-fluoro-4-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80591449
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531194
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
CID 143173019
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane?
The IUPAC name of 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane (CID 176938915) is 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane.
What is the SMILES notation for 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane?
The canonical SMILES for 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane is CC.Cc1ccc(NC2=C(C(N)=O)C(C3CC3)=CNC2)c(F)c1.
What is the InChIKey of 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane?
The InChIKey is IJOKGWIAVWENOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O.C2H6/c1-9-2-5-13(12(17)6-9)20-14-8-19-7-11(10-3-4-10)15(14)16(18)21;1-2/h2,5-7,10,19-20H,3-4,8H2,1H3,(H2,18,21);1-2H3.
What are the key properties of 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane?
5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane has a molecular weight of 317.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane is sourced from PubChem (CID 176938915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).