2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile

C16H15N3 — CID 116986204

IUPAC2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile
SMILESCn1c2ccncc2c2ccc(C(C)(C)C#N)cc21
InChIInChI=1S/C16H15N3/c1-16(2,10-17)11-4-5-12-13-9-18-7-6-14(13)19(3)15(12)8-11/h4-9H,1-3H3
InChIKeyZEIVGEVPBWFFQB-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.53
Rot. Bonds1

About 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile

2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile (PubChem CID 116986204) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile
PubChem CID116986204
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile
SMILESCn1c2ccncc2c2ccc(C(C)(C)C#N)cc21
InChIInChI=1S/C16H15N3/c1-16(2,10-17)11-4-5-12-13-9-18-7-6-14(13)19(3)15(12)8-11/h4-9H,1-3H3
InChIKeyZEIVGEVPBWFFQB-UHFFFAOYSA-N
XLogP3.53
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylpyrido[4,3-b]indol-8-yl)propan-2-ol
CID 116985992
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
1-(5-methylpyrido[4,3-b]indol-8-yl)cyclopropane-1-carbonitrile
CID 116985998
N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine
CID 116986165
11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144891245
(5-methylpyrido[4,3-b]indol-8-yl)hydrazine
CID 116986023
7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 134481360
5-methyl-7-piperidin-2-ylpyrido[4,3-b]indole
CID 116986169
2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid
CID 116986188
2-methyl-2-(1-oxo-2H-phthalazin-6-yl)propanenitrile
CID 90046323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile (CID 116986204) is 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile is Cn1c2ccncc2c2ccc(C(C)(C)C#N)cc21.
What is the InChIKey of 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile?
The InChIKey is ZEIVGEVPBWFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-16(2,10-17)11-4-5-12-13-9-18-7-6-14(13)19(3)15(12)8-11/h4-9H,1-3H3.
What are the key properties of 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile?
2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile has a molecular weight of 249.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile is sourced from PubChem (CID 116986204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).