1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

C13H16N4O — CID 106318434

IUPAC1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cccnc2C#N)C1
InChIInChI=1S/C13H16N4O/c1-13(12(18)15-2)5-7-17(9-13)11-4-3-6-16-10(11)8-14/h3-4,6H,5,7,9H2,1-2H3,(H,15,18)
InChIKeyGJKRWLVOXHJYKY-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.92
Rot. Bonds2

About 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318434) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318434
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cccnc2C#N)C1
InChIInChI=1S/C13H16N4O/c1-13(12(18)15-2)5-7-17(9-13)11-4-3-6-16-10(11)8-14/h3-4,6H,5,7,9H2,1-2H3,(H,15,18)
InChIKeyGJKRWLVOXHJYKY-UHFFFAOYSA-N
XLogP0.92
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610
1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317647
1-(5-chloro-2-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150510
1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150543
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514
1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321026
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150508
1-(4-cyano-3-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318429
methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362759
5-bromo-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106318917
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318434) is 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2cccnc2C#N)C1.
What is the InChIKey of 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GJKRWLVOXHJYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(12(18)15-2)5-7-17(9-13)11-4-3-6-16-10(11)8-14/h3-4,6H,5,7,9H2,1-2H3,(H,15,18).
What are the key properties of 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).