6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide

C20H19N3O3 — CID 134298153

IUPAC6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
SMILESCC1CN(C)C(=O)C1(O)C#Cc1cccc(-c2cccc(C(N)=O)n2)c1
InChIInChI=1S/C20H19N3O3/c1-13-12-23(2)19(25)20(13,26)10-9-14-5-3-6-15(11-14)16-7-4-8-17(22-16)18(21)24/h3-8,11,13,26H,12H2,1-2H3,(H2,21,24)
InChIKeyDBZCSYFMNZRDOO-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.04
Rot. Bonds2

About 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide

6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide (PubChem CID 134298153) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
PubChem CID134298153
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
SMILESCC1CN(C)C(=O)C1(O)C#Cc1cccc(-c2cccc(C(N)=O)n2)c1
InChIInChI=1S/C20H19N3O3/c1-13-12-23(2)19(25)20(13,26)10-9-14-5-3-6-15(11-14)16-7-4-8-17(22-16)18(21)24/h3-8,11,13,26H,12H2,1-2H3,(H2,21,24)
InChIKeyDBZCSYFMNZRDOO-UHFFFAOYSA-N
XLogP1.04
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]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-(oxetan-3-yloxy)pyridine-2-carboxamide
CID 123720096
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 123141214
3-(difluoromethyl)-6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
CID 123922620
[(4R)-4-[2-[3-[4-amino-8-(furan-2-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]ethynyl]-4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 155729056
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
6-(3,3-difluoroazetidin-1-yl)-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyrimidine-4-carboxamide
CID 123604083
2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 123307713
1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 138559291
3-[2-[3-(4-amino-6-chloro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 123350679
6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide
CID 144793661
3-[3-[2-[(3R)-2,3-dihydroxy-1-methylpyrrolidin-3-yl]ethynyl]phenyl]benzamide
CID 130270074

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide (CID 134298153) is 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide is CC1CN(C)C(=O)C1(O)C#Cc1cccc(-c2cccc(C(N)=O)n2)c1.
What is the InChIKey of 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide?
The InChIKey is DBZCSYFMNZRDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-12-23(2)19(25)20(13,26)10-9-14-5-3-6-15(11-14)16-7-4-8-17(22-16)18(21)24/h3-8,11,13,26H,12H2,1-2H3,(H2,21,24).
What are the key properties of 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide?
6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 134298153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).