2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile

C14H11N3 — CID 86288189

IUPAC2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile
SMILESCc1cc(C)c2c(n1)c(C#N)c1ccccn12
InChIInChI=1S/C14H11N3/c1-9-7-10(2)16-13-11(8-15)12-5-3-4-6-17(12)14(9)13/h3-7H,1-2H3
InChIKeyVJXDKDRYAQYCHT-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.98
Rot. Bonds

About 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile

2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile (PubChem CID 86288189) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile.

Molecular Properties

Compound Name2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile
PubChem CID86288189
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile
SMILESCc1cc(C)c2c(n1)c(C#N)c1ccccn12
InChIInChI=1S/C14H11N3/c1-9-7-10(2)16-13-11(8-15)12-5-3-4-6-17(12)14(9)13/h3-7H,1-2H3
InChIKeyVJXDKDRYAQYCHT-UHFFFAOYSA-N
XLogP2.98
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
CID 17469534
pyrido[1,2-a]indole-10-carbonitrile
CID 66666977
1-methyl-[1,3]azaphospholo[1,5-a]pyridine-3-carbonitrile
CID 5325081
1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
CID 81060210
3-(3-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 116836642
ethyl 1-amino-4-cyanothieno[2,3-b]indolizine-2-carboxylate
CID 10016778
4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile
CID 3838524
8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile
CID 25192789
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 4175552
3-(3-hydroxypropylamino)-5-oxopyrimido[4,5-c]quinolizine-6-carbonitrile
CID 15397237
20-ethyl-2,4,10,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),5,7,9,12,14,16,18-nonaene-12-carbonitrile
CID 56965311

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile?
The IUPAC name of 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile (CID 86288189) is 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile.
What is the SMILES notation for 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile?
The canonical SMILES for 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile is Cc1cc(C)c2c(n1)c(C#N)c1ccccn12.
What is the InChIKey of 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile?
The InChIKey is VJXDKDRYAQYCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-9-7-10(2)16-13-11(8-15)12-5-3-4-6-17(12)14(9)13/h3-7H,1-2H3.
What are the key properties of 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile?
2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrido[2,3-b]indolizine-10-carbonitrile is sourced from PubChem (CID 86288189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).