N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane

C22H30FN3O5 — CID 143806427

IUPACN-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
SMILESCC.Cc1ccc(Nc2c(C(=O)NOCC(O)CO)c3n(c(=O)c2C)CCC3)c(F)c1
InChIInChI=1S/C20H24FN3O5.C2H6/c1-11-5-6-15(14(21)8-11)22-18-12(2)20(28)24-7-3-4-16(24)17(18)19(27)23-29-10-13(26)9-25;1-2/h5-6,8,13,22,25-26H,3-4,7,9-10H2,1-2H3,(H,23,27);1-2H3
InChIKeyQJZREEYYBZVONR-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.33
Rot. Bonds7

About N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane

N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane (PubChem CID 143806427) has the molecular formula C22H30FN3O5 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane.

Molecular Properties

Compound NameN-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
PubChem CID143806427
Molecular FormulaC22H30FN3O5
Molecular Weight435.50 g/mol
Exact Mass435.22
IUPAC NameN-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
SMILESCC.Cc1ccc(Nc2c(C(=O)NOCC(O)CO)c3n(c(=O)c2C)CCC3)c(F)c1
InChIInChI=1S/C20H24FN3O5.C2H6/c1-11-5-6-15(14(21)8-11)22-18-12(2)20(28)24-7-3-4-16(24)17(18)19(27)23-29-10-13(26)9-25;1-2/h5-6,8,13,22,25-26H,3-4,7,9-10H2,1-2H3,(H,23,27);1-2H3
InChIKeyQJZREEYYBZVONR-UHFFFAOYSA-N
XLogP2.33
TPSA112.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-7-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
CID 143806439
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
CID 89023824
CID 89023824
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820
6-fluoro-7-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropoxy)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 42606321
5-acetyl-N-[(2S)-2,3-dihydroxypropoxy]-2-(2-fluoro-4-methylanilino)-4-propan-2-ylthiophene-3-carboxamide
CID 167133101
N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476290
N-(2,3-dihydroxypropoxy)-4,5-difluoro-6-(2-fluoro-4-methylanilino)cyclohexa-1,4-diene-1-carboxamide
CID 91275168
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
N-(2,3-dihydroxypropoxy)-4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzoxazole-6-carboxamide
CID 123631940
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
3-fluoro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-2-oxo-1-azabicyclo[4.2.0]octa-3,5-diene-5-carboxamide
CID 42606558

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane?
The IUPAC name of N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane (CID 143806427) is N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane.
What is the SMILES notation for N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane?
The canonical SMILES for N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane is CC.Cc1ccc(Nc2c(C(=O)NOCC(O)CO)c3n(c(=O)c2C)CCC3)c(F)c1.
What is the InChIKey of N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane?
The InChIKey is QJZREEYYBZVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5.C2H6/c1-11-5-6-15(14(21)8-11)22-18-12(2)20(28)24-7-3-4-16(24)17(18)19(27)23-29-10-13(26)9-25;1-2/h5-6,8,13,22,25-26H,3-4,7,9-10H2,1-2H3,(H,23,27);1-2H3.
What are the key properties of N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane?
N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane has a molecular weight of 435.50 g/mol, XLogP of 2.33, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane is sourced from PubChem (CID 143806427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).