5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

C24H26N6O3 — CID 121374869

IUPAC5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCc1c(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cncc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C24H26N6O3/c1-15-19(22(31)28-17-5-9-33-13-17)11-26-12-20(15)29-21-10-18(4-7-27-21)30-8-6-24(14-25,23(30)32)16-2-3-16/h4,7,10-12,16-17H,2-3,5-6,8-9,13H2,1H3,(H,27,29)(H,28,31)/t17-,24+/m0/s1
InChIKeyJWBITDMJXHBARC-BXKMTCNYSA-N
MW446.51 g/mol
LogP2.70
Rot. Bonds6

About 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 121374869) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
PubChem CID121374869
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCc1c(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cncc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C24H26N6O3/c1-15-19(22(31)28-17-5-9-33-13-17)11-26-12-20(15)29-21-10-18(4-7-27-21)30-8-6-24(14-25,23(30)32)16-2-3-16/h4,7,10-12,16-17H,2-3,5-6,8-9,13H2,1H3,(H,27,29)(H,28,31)/t17-,24+/m0/s1
InChIKeyJWBITDMJXHBARC-BXKMTCNYSA-N
XLogP2.70
TPSA120.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (CID 121374869) is 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is Cc1c(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cncc1C(=O)N[C@H]1CCOC1.
What is the InChIKey of 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is JWBITDMJXHBARC-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-19(22(31)28-17-5-9-33-13-17)11-26-12-20(15)29-21-10-18(4-7-27-21)30-8-6-24(14-25,23(30)32)16-2-3-16/h4,7,10-12,16-17H,2-3,5-6,8-9,13H2,1H3,(H,27,29)(H,28,31)/t17-,24+/m0/s1.
What are the key properties of 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121374869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).