6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide

C22H21N3O5 — CID 123720096

IUPAC6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide
SMILESCN1CCC(O)(C#Cc2cccc(-c3cc(OC4COC4)cc(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C22H21N3O5/c1-25-8-7-22(28,21(25)27)6-5-14-3-2-4-15(9-14)18-10-16(30-17-12-29-13-17)11-19(24-18)20(23)26/h2-4,9-11,17,28H,7-8,12-13H2,1H3,(H2,23,26)
InChIKeyONOKPBSVYOJTSS-UHFFFAOYSA-N
MW407.43 g/mol
LogP0.57
Rot. Bonds4

About 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide

6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide (PubChem CID 123720096) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide
PubChem CID123720096
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide
SMILESCN1CCC(O)(C#Cc2cccc(-c3cc(OC4COC4)cc(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C22H21N3O5/c1-25-8-7-22(28,21(25)27)6-5-14-3-2-4-15(9-14)18-10-16(30-17-12-29-13-17)11-19(24-18)20(23)26/h2-4,9-11,17,28H,7-8,12-13H2,1H3,(H2,23,26)
InChIKeyONOKPBSVYOJTSS-UHFFFAOYSA-N
XLogP0.57
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxamide
CID 123801360
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 123141214
3-[2-[3-(4-amino-6-chloro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 123350679
2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 123307713
3-(difluoromethyl)-6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
CID 123922620
6-(3,3-difluoroazetidin-1-yl)-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyrimidine-4-carboxamide
CID 123604083
azane;ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide
CID 158817675
ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylimidazol-4-yl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;methane
CID 159375147
2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 122508719
1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide
CID 123417549
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1-methylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 123928957
ethyl 2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate
CID 123392972

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The IUPAC name of 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide (CID 123720096) is 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The canonical SMILES for 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide is CN1CCC(O)(C#Cc2cccc(-c3cc(OC4COC4)cc(C(N)=O)n3)c2)C1=O.
What is the InChIKey of 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The InChIKey is ONOKPBSVYOJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-25-8-7-22(28,21(25)27)6-5-14-3-2-4-15(9-14)18-10-16(30-17-12-29-13-17)11-19(24-18)20(23)26/h2-4,9-11,17,28H,7-8,12-13H2,1H3,(H2,23,26).
What are the key properties of 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(oxetan-3-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 123720096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).