(3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide

C11H12N4O2 — CID 164638971

IUPAC(3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide
SMILESN#Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccn1
InChIInChI=1S/C11H12N4O2/c12-6-8-5-9(1-3-14-8)15-4-2-11(17,7-15)10(13)16/h1,3,5,17H,2,4,7H2,(H2,13,16)/t11-/m0/s1
InChIKeyCHJLAVDUNTTXGC-NSHDSACASA-N
MW232.24 g/mol
LogP-0.62
Rot. Bonds2

About (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide

(3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide (PubChem CID 164638971) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide
PubChem CID164638971
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide
SMILESN#Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccn1
InChIInChI=1S/C11H12N4O2/c12-6-8-5-9(1-3-14-8)15-4-2-11(17,7-15)10(13)16/h1,3,5,17H,2,4,7H2,(H2,13,16)/t11-/m0/s1
InChIKeyCHJLAVDUNTTXGC-NSHDSACASA-N
XLogP-0.62
TPSA103.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide (CID 164638971) is (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide is N#Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccn1.
What is the InChIKey of (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide?
The InChIKey is CHJLAVDUNTTXGC-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-8-5-9(1-3-14-8)15-4-2-11(17,7-15)10(13)16/h1,3,5,17H,2,4,7H2,(H2,13,16)/t11-/m0/s1.
What are the key properties of (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide?
(3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyano-4-pyridinyl)-3-hydroxypyrrolidine-3-carboxamide is sourced from PubChem (CID 164638971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).