3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile

C16H15N3 — CID 116985919

IUPAC3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile
SMILESCC(C)C(C#N)c1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C16H15N3/c1-10(2)13(8-17)11-3-4-15-12(7-11)14-9-18-6-5-16(14)19-15/h3-7,9-10,13,19H,1-2H3
InChIKeyVHMSGBIAIBYYOR-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.98
Rot. Bonds2

About 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile

3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile (PubChem CID 116985919) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile.

Molecular Properties

Compound Name3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile
PubChem CID116985919
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile
SMILESCC(C)C(C#N)c1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C16H15N3/c1-10(2)13(8-17)11-3-4-15-12(7-11)14-9-18-6-5-16(14)19-15/h3-7,9-10,13,19H,1-2H3
InChIKeyVHMSGBIAIBYYOR-UHFFFAOYSA-N
XLogP3.98
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid
CID 116985921
3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
CID 116986132
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
ethane;5H-pyrido[4,3-b]indole
CID 176987523
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile
CID 82412113
N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827
1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
CID 116985878
3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
CID 117390924
methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
CID 116985874
(2S)-3-methyl-2-(4-methylphenyl)butanenitrile
CID 40768189
12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 144661360

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile?
The IUPAC name of 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile (CID 116985919) is 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile.
What is the SMILES notation for 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile?
The canonical SMILES for 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile is CC(C)C(C#N)c1ccc2[nH]c3ccncc3c2c1.
What is the InChIKey of 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile?
The InChIKey is VHMSGBIAIBYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-10(2)13(8-17)11-3-4-15-12(7-11)14-9-18-6-5-16(14)19-15/h3-7,9-10,13,19H,1-2H3.
What are the key properties of 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile?
3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile has a molecular weight of 249.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile is sourced from PubChem (CID 116985919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).