7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile

C11H12N4 — CID 84669511

IUPAC7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCN(C)c1ccnc2c(C#N)cn(C)c12
InChIInChI=1S/C11H12N4/c1-14(2)9-4-5-13-10-8(6-12)7-15(3)11(9)10/h4-5,7H,1-3H3
InChIKeyJOWQRTGULJDMQP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.51
Rot. Bonds1

About 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile

7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile (PubChem CID 84669511) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
PubChem CID84669511
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCN(C)c1ccnc2c(C#N)cn(C)c12
InChIInChI=1S/C11H12N4/c1-14(2)9-4-5-13-10-8(6-12)7-15(3)11(9)10/h4-5,7H,1-3H3
InChIKeyJOWQRTGULJDMQP-UHFFFAOYSA-N
XLogP1.51
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile
CID 133058980
1,6,7-trimethylindole-3-carbonitrile
CID 82490741
1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile
CID 116851964
1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile
CID 84681119
3-methylthieno[3,2-b]pyridine-7-carbonitrile
CID 135392199
4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
CID 1475658
N,N,1-trimethylpyrrolo[2,3-b]pyridin-3-amine
CID 174356978
2-(dimethylamino)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 10035337
6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
CID 176702943
2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile
CID 73439061
N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
CID 71917183
1,3-dimethyl-5-pyrimidin-4-ylindole-7-carbonitrile
CID 153487622

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile (CID 84669511) is 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile is CN(C)c1ccnc2c(C#N)cn(C)c12.
What is the InChIKey of 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
The InChIKey is JOWQRTGULJDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-14(2)9-4-5-13-10-8(6-12)7-15(3)11(9)10/h4-5,7H,1-3H3.
What are the key properties of 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile?
7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 84669511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).