6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile

C19H16N6O — CID 121374389

IUPAC6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)nc1
InChIInChI=1S/C19H16N6O/c20-10-13-1-4-16(23-11-13)24-17-9-15(5-7-22-17)25-8-6-19(12-21,18(25)26)14-2-3-14/h1,4-5,7,9,11,14H,2-3,6,8H2,(H,22,23,24)/t19-/m1/s1
InChIKeyREOCARQTQYSPHJ-LJQANCHMSA-N
MW344.38 g/mol
LogP2.75
Rot. Bonds4

About 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile

6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile (PubChem CID 121374389) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
PubChem CID121374389
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)nc1
InChIInChI=1S/C19H16N6O/c20-10-13-1-4-16(23-11-13)24-17-9-15(5-7-22-17)25-8-6-19(12-21,18(25)26)14-2-3-14/h1,4-5,7,9,11,14H,2-3,6,8H2,(H,22,23,24)/t19-/m1/s1
InChIKeyREOCARQTQYSPHJ-LJQANCHMSA-N
XLogP2.75
TPSA105.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile (CID 121374389) is 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)nc1.
What is the InChIKey of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The InChIKey is REOCARQTQYSPHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16N6O/c20-10-13-1-4-16(23-11-13)24-17-9-15(5-7-22-17)25-8-6-19(12-21,18(25)26)14-2-3-14/h1,4-5,7,9,11,14H,2-3,6,8H2,(H,22,23,24)/t19-/m1/s1.
What are the key properties of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 121374389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).