2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one

C17H13N3O — CID 56941125

IUPAC2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one
SMILESCc1ccncc1-n1ccc2[nH]c3ccccc3c2c1=O
InChIInChI=1S/C17H13N3O/c1-11-6-8-18-10-15(11)20-9-7-14-16(17(20)21)12-4-2-3-5-13(12)19-14/h2-10,19H,1H3
InChIKeyMMRQPEMIYFAXGI-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.18
Rot. Bonds1

About 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one

2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one (PubChem CID 56941125) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one
PubChem CID56941125
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one
SMILESCc1ccncc1-n1ccc2[nH]c3ccccc3c2c1=O
InChIInChI=1S/C17H13N3O/c1-11-6-8-18-10-15(11)20-9-7-14-16(17(20)21)12-4-2-3-5-13(12)19-14/h2-10,19H,1H3
InChIKeyMMRQPEMIYFAXGI-UHFFFAOYSA-N
XLogP3.18
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-3-pyridinyl)-1H-imidazol-2-one
CID 68784221
ethane;5H-pyrido[4,3-b]indole
CID 176987523
8,9-dimethyl-5H-pyrido[4,3-b]indole
CID 91330855
1-(1H-benzimidazol-2-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 59636263
7-(2-chlorophenyl)-3-(4-methyl-3-pyridinyl)-1H-quinazoline-2,4-dione
CID 170772629
6H-azepino[4,3-b]indol-1-one
CID 150838998
11-methyl-6H-indolo[2,3-b][1,6]naphthyridine
CID 10776002
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one
CID 136901805
1-(3-methyl-4-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 4037578
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
3-methyl-9H-carbazol-4-ol
CID 11116991

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one?
The IUPAC name of 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one (CID 56941125) is 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one is Cc1ccncc1-n1ccc2[nH]c3ccccc3c2c1=O.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one?
The InChIKey is MMRQPEMIYFAXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-6-8-18-10-15(11)20-9-7-14-16(17(20)21)12-4-2-3-5-13(12)19-14/h2-10,19H,1H3.
What are the key properties of 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one?
2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one has a molecular weight of 275.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indol-1-one is sourced from PubChem (CID 56941125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).