5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

C12H14N4O — CID 63724260

IUPAC5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#N)cn1)C1CCNC1
InChIInChI=1S/C12H14N4O/c1-16(10-4-5-14-8-10)12(17)11-3-2-9(6-13)7-15-11/h2-3,7,10,14H,4-5,8H2,1H3
InChIKeyIUTMVLCVFFFAHL-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.39
Rot. Bonds2

About 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (PubChem CID 63724260) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
PubChem CID63724260
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#N)cn1)C1CCNC1
InChIInChI=1S/C12H14N4O/c1-16(10-4-5-14-8-10)12(17)11-3-2-9(6-13)7-15-11/h2-3,7,10,14H,4-5,8H2,1H3
InChIKeyIUTMVLCVFFFAHL-UHFFFAOYSA-N
XLogP0.39
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (CID 63724260) is 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is CN(C(=O)c1ccc(C#N)cn1)C1CCNC1.
What is the InChIKey of 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The InChIKey is IUTMVLCVFFFAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(10-4-5-14-8-10)12(17)11-3-2-9(6-13)7-15-11/h2-3,7,10,14H,4-5,8H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 63724260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).