1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide

C11H12N4O — CID 43183688

IUPAC1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cccnc1N1CCCC1C(N)=O
InChIInChI=1S/C11H12N4O/c12-7-8-3-1-5-14-11(8)15-6-2-4-9(15)10(13)16/h1,3,5,9H,2,4,6H2,(H2,13,16)
InChIKeySAPAJOLOQVDKHG-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.41
Rot. Bonds2

About 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide

1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 43183688) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID43183688
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cccnc1N1CCCC1C(N)=O
InChIInChI=1S/C11H12N4O/c12-7-8-3-1-5-14-11(8)15-6-2-4-9(15)10(13)16/h1,3,5,9H,2,4,6H2,(H2,13,16)
InChIKeySAPAJOLOQVDKHG-UHFFFAOYSA-N
XLogP0.41
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide (CID 43183688) is 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide is N#Cc1cccnc1N1CCCC1C(N)=O.
What is the InChIKey of 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is SAPAJOLOQVDKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-7-8-3-1-5-14-11(8)15-6-2-4-9(15)10(13)16/h1,3,5,9H,2,4,6H2,(H2,13,16).
What are the key properties of 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide?
1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43183688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).