1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H18N4O — CID 106150543

IUPAC1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc(C)c2C#N)C1
InChIInChI=1S/C14H18N4O/c1-10-4-6-17-12(11(10)8-15)18-7-5-14(2,9-18)13(19)16-3/h4,6H,5,7,9H2,1-3H3,(H,16,19)
InChIKeyQNJWNONMXTUZON-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106150543) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106150543
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc(C)c2C#N)C1
InChIInChI=1S/C14H18N4O/c1-10-4-6-17-12(11(10)8-15)18-7-5-14(2,9-18)13(19)16-3/h4,6H,5,7,9H2,1-3H3,(H,16,19)
InChIKeyQNJWNONMXTUZON-UHFFFAOYSA-N
XLogP1.22
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318499
1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318434
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514
N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
CID 154763274
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-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317647
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322506
1-(5-chloro-2-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150510
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150508
4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83099052

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106150543) is 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nccc(C)c2C#N)C1.
What is the InChIKey of 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is QNJWNONMXTUZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-6-17-12(11(10)8-15)18-7-5-14(2,9-18)13(19)16-3/h4,6H,5,7,9H2,1-3H3,(H,16,19).
What are the key properties of 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106150543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).