3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one

C18H15N3O — CID 118156338

IUPAC3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1ccc2[nH]c3c(-c4cccnc4)c(C)c(=O)[nH]c3c2c1
InChIInChI=1S/C18H15N3O/c1-10-5-6-14-13(8-10)16-17(20-14)15(11(2)18(22)21-16)12-4-3-7-19-9-12/h3-9,20H,1-2H3,(H,21,22)
InChIKeyUSYRIMKLFYJFGR-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.69
Rot. Bonds1

About 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one

3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one (PubChem CID 118156338) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Name3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one
PubChem CID118156338
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1ccc2[nH]c3c(-c4cccnc4)c(C)c(=O)[nH]c3c2c1
InChIInChI=1S/C18H15N3O/c1-10-5-6-14-13(8-10)16-17(20-14)15(11(2)18(22)21-16)12-4-3-7-19-9-12/h3-9,20H,1-2H3,(H,21,22)
InChIKeyUSYRIMKLFYJFGR-UHFFFAOYSA-N
XLogP3.69
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 144861937
8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156406
8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 123416407
8-fluoro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156102
7-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10776936
4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione
CID 101095307
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118140094
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one
CID 142993468

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
The IUPAC name of 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one (CID 118156338) is 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one.
What is the SMILES notation for 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
The canonical SMILES for 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one is Cc1ccc2[nH]c3c(-c4cccnc4)c(C)c(=O)[nH]c3c2c1.
What is the InChIKey of 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
The InChIKey is USYRIMKLFYJFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-10-5-6-14-13(8-10)16-17(20-14)15(11(2)18(22)21-16)12-4-3-7-19-9-12/h3-9,20H,1-2H3,(H,21,22).
What are the key properties of 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one has a molecular weight of 289.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one is sourced from PubChem (CID 118156338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).