2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile

C23H23N7O2 — CID 121374685

IUPAC2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1N1CCOCC1
InChIInChI=1S/C23H23N7O2/c24-13-16-11-20(27-14-19(16)29-7-9-32-10-8-29)28-21-12-18(3-5-26-21)30-6-4-23(15-25,22(30)31)17-1-2-17/h3,5,11-12,14,17H,1-2,4,6-10H2,(H,26,27,28)/t23-/m1/s1
InChIKeyPMEPTVBVUYHAGT-HSZRJFAPSA-N
MW429.48 g/mol
LogP2.59
Rot. Bonds5

About 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile

2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile (PubChem CID 121374685) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile
PubChem CID121374685
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1N1CCOCC1
InChIInChI=1S/C23H23N7O2/c24-13-16-11-20(27-14-19(16)29-7-9-32-10-8-29)28-21-12-18(3-5-26-21)30-6-4-23(15-25,22(30)31)17-1-2-17/h3,5,11-12,14,17H,1-2,4,6-10H2,(H,26,27,28)/t23-/m1/s1
InChIKeyPMEPTVBVUYHAGT-HSZRJFAPSA-N
XLogP2.59
TPSA118.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374873
(3S)-3-cyclopropyl-1-[2-[[5-(oxan-4-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374438
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 121374389
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
CID 121374564
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 121374814
(3S)-3-cyclopropyl-1-[2-[[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374504
N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
CID 121374516
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
(3S)-1-[2-[[5-(2-cyanopropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374429
(3S)-3-cyclopropyl-1-[2-[[6-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374614
2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 121374633
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 121374375

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile?
The IUPAC name of 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile (CID 121374685) is 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile is N#Cc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1N1CCOCC1.
What is the InChIKey of 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile?
The InChIKey is PMEPTVBVUYHAGT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-13-16-11-20(27-14-19(16)29-7-9-32-10-8-29)28-21-12-18(3-5-26-21)30-6-4-23(15-25,22(30)31)17-1-2-17/h3,5,11-12,14,17H,1-2,4,6-10H2,(H,26,27,28)/t23-/m1/s1.
What are the key properties of 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile?
2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-5-morpholin-4-ylpyridine-4-carbonitrile is sourced from PubChem (CID 121374685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).