(3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

C24H26N6O3 — CID 121374584

About (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

(3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (PubChem CID 121374584) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

• Compound Name: (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
• PubChem CID: 121374584
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
• SMILES: Cc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1C(=O)N1CC[C@@H](O)C1
• InChI: InChI=1S/C24H26N6O3/c1-15-10-20(27-12-19(15)22(32)29-8-5-18(31)13-29)28-21-11-17(4-7-26-21)30-9-6-24(14-25,23(30)33)16-2-3-16/h4,7,10-12,16,18,31H,2-3,5-6,8-9,13H2,1H3,(H,26,27,28)/t18-,24-/m1/s1
• InChIKey: QTAQVUDYXTZHKZ-HOYKHHGWSA-N
• XLogP: 2.39
• TPSA: 122.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?

The IUPAC name of (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (CID 121374584) is (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.

What is the SMILES notation for (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?

The canonical SMILES for (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is Cc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1C(=O)N1CC[C@@H](O)C1.

What is the InChIKey of (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?

The InChIKey is QTAQVUDYXTZHKZ-HOYKHHGWSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-10-20(27-12-19(15)22(32)29-8-5-18(31)13-29)28-21-11-17(4-7-26-21)30-9-6-24(14-25,23(30)33)16-2-3-16/h4,7,10-12,16,18,31H,2-3,5-6,8-9,13H2,1H3,(H,26,27,28)/t18-,24-/m1/s1.

What are the key properties of (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?

(3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 121374584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).