methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate

C21H25NO2 — CID 164705552

IUPACmethyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate
SMILESCOC(=O)C(C)CC1(CC(C)C)c2ccccc2-c2ncccc21
InChIInChI=1S/C21H25NO2/c1-14(2)12-21(13-15(3)20(23)24-4)17-9-6-5-8-16(17)19-18(21)10-7-11-22-19/h5-11,14-15H,12-13H2,1-4H3
InChIKeyRDIYYKBAHHUOCA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.59
Rot. Bonds5

About methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate

methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate (PubChem CID 164705552) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate
PubChem CID164705552
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namemethyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate
SMILESCOC(=O)C(C)CC1(CC(C)C)c2ccccc2-c2ncccc21
InChIInChI=1S/C21H25NO2/c1-14(2)12-21(13-15(3)20(23)24-4)17-9-6-5-8-16(17)19-18(21)10-7-11-22-19/h5-11,14-15H,12-13H2,1-4H3
InChIKeyRDIYYKBAHHUOCA-UHFFFAOYSA-N
XLogP4.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[9-[2-[9-(3-methoxy-2-methyl-3-oxopropyl)fluoren-9-yl]ethyl]fluoren-9-yl]-2-methylpropanoate
CID 90136290
phenyl 2-methyl-3-[8-[[8-(2-phenylpropyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]propanoate
CID 164705450
ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate
CID 14792995
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
CID 118345017
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-[11-[2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]benzo[b]fluoren-11-yl]propanoate
CID 168800282
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
methyl 2-[8-[(8-ethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]acetate
CID 163617989
phenyl 3-[5-[[5-[[5-(2-phenylethyl)indeno[1,2-b]pyridin-5-yl]methyl]indeno[1,2-b]pyridin-5-yl]methyl]indeno[1,2-b]pyridin-5-yl]propanoate
CID 164705527
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
methyl 3-(3-formyl-2,3-dihydrothieno[2,3-b]pyridin-2-yl)-2-methylpropanoate
CID 174335075
N-(3-methoxy-2-methyl-3-oxopropyl)-1-pyridin-2-ylmethanimine oxide
CID 134997986
5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate?
The IUPAC name of methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate (CID 164705552) is methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate is COC(=O)C(C)CC1(CC(C)C)c2ccccc2-c2ncccc21.
What is the InChIKey of methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate?
The InChIKey is RDIYYKBAHHUOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)12-21(13-15(3)20(23)24-4)17-9-6-5-8-16(17)19-18(21)10-7-11-22-19/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate?
methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate has a molecular weight of 323.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate is sourced from PubChem (CID 164705552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).