3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide

C20H19N3O4 — CID 140667699

IUPAC3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cc(-c3cccnc3C(N)=O)ccc2CO)C1=O
InChIInChI=1S/C20H19N3O4/c1-23-10-8-20(27,19(23)26)7-6-13-11-14(4-5-15(13)12-24)16-3-2-9-22-17(16)18(21)25/h2-5,9,11,24,27H,8,10,12H2,1H3,(H2,21,25)/t20-/m0/s1
InChIKeyPGYGULJXRAVGDA-FQEVSTJZSA-N
MW365.39 g/mol
LogP0.28
Rot. Bonds3

About 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide

3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide (PubChem CID 140667699) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide
PubChem CID140667699
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cc(-c3cccnc3C(N)=O)ccc2CO)C1=O
InChIInChI=1S/C20H19N3O4/c1-23-10-8-20(27,19(23)26)7-6-13-11-14(4-5-15(13)12-24)16-3-2-9-22-17(16)18(21)25/h2-5,9,11,24,27H,8,10,12H2,1H3,(H2,21,25)/t20-/m0/s1
InChIKeyPGYGULJXRAVGDA-FQEVSTJZSA-N
XLogP0.28
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide
CID 158182426
(3R)-3-[2-(2-aminophenyl)ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 175214367
(3R)-3-[2-[3-(1-aminoisoquinolin-7-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 155340543
3-[2-[3-(1-aminoisoquinolin-7-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 155340546
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxamide
CID 123801360
3-(difluoromethyl)-6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
CID 123922620
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 123141214
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1-methylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 123928957
5-(3,3-difluorocyclobutyl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide
CID 145143384
3-(hydroxymethyl)-9-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]-4,5-dihydropyrazolo[5,1-d][1,5]benzoxazepine-2-carboxamide
CID 123669806
7-fluoro-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]quinazoline-4-carboxamide
CID 123676299
(3R)-3-hydroxy-1-methyl-3-(2-pyrimidin-4-ylethynyl)pyrrolidin-2-one
CID 141444915

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide (CID 140667699) is 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide is CN1CC[C@@](O)(C#Cc2cc(-c3cccnc3C(N)=O)ccc2CO)C1=O.
What is the InChIKey of 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?
The InChIKey is PGYGULJXRAVGDA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-23-10-8-20(27,19(23)26)7-6-13-11-14(4-5-15(13)12-24)16-3-2-9-22-17(16)18(21)25/h2-5,9,11,24,27H,8,10,12H2,1H3,(H2,21,25)/t20-/m0/s1.
What are the key properties of 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide?
3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 140667699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).