N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide

C29H31FN2O4 — CID 162135456

IUPACN-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide
SMILESCCNC(=O)C1=Cc2c(c(=O)c(C)cn2-c2cc(C(C)(C)O)ccc2Oc2c(C)cc(F)cc2C)C1
InChIInChI=1S/C29H31FN2O4/c1-7-31-28(34)19-12-22-23(13-19)32(15-18(4)26(22)33)24-14-20(29(5,6)35)8-9-25(24)36-27-16(2)10-21(30)11-17(27)3/h8-11,13-15,35H,7,12H2,1-6H3,(H,31,34)
InChIKeyZJFJJPCLXALFHQ-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.00
Rot. Bonds6

About N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide

N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide (PubChem CID 162135456) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide
PubChem CID162135456
Molecular FormulaC29H31FN2O4
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC NameN-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide
SMILESCCNC(=O)C1=Cc2c(c(=O)c(C)cn2-c2cc(C(C)(C)O)ccc2Oc2c(C)cc(F)cc2C)C1
InChIInChI=1S/C29H31FN2O4/c1-7-31-28(34)19-12-22-23(13-19)32(15-18(4)26(22)33)24-14-20(29(5,6)35)8-9-25(24)36-27-16(2)10-21(30)11-17(27)3/h8-11,13-15,35H,7,12H2,1-6H3,(H,31,34)
InChIKeyZJFJJPCLXALFHQ-UHFFFAOYSA-N
XLogP5.00
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 146575597
N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide
CID 146575719
1-[2-(2,4-difluoro-6-methylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-5H-cyclopenta[b]pyridin-4-one
CID 159197299
6-fluoro-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methylquinolin-4-one
CID 146576688
1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one
CID 146576118
N-ethyl-8-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-5-methyl-1,3,4,6-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene-11-carboxamide
CID 146482216
2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol
CID 167107139
N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
CID 146525058
3-chloro-1-[2-(2,6-difluoro-4-methylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]quinolin-4-one
CID 146576682
1-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 167168507
7-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-5-methyl-N-(2-methylsulfanylethyl)-4-oxo-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155140519
N-(1,3-difluoropropan-2-yl)-7-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155140520

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide?
The IUPAC name of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide (CID 162135456) is N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide is CCNC(=O)C1=Cc2c(c(=O)c(C)cn2-c2cc(C(C)(C)O)ccc2Oc2c(C)cc(F)cc2C)C1.
What is the InChIKey of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide?
The InChIKey is ZJFJJPCLXALFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-7-31-28(34)19-12-22-23(13-19)32(15-18(4)26(22)33)24-14-20(29(5,6)35)8-9-25(24)36-27-16(2)10-21(30)11-17(27)3/h8-11,13-15,35H,7,12H2,1-6H3,(H,31,34).
What are the key properties of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide?
N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-5H-cyclopenta[b]pyridine-6-carboxamide is sourced from PubChem (CID 162135456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).