5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide

C22H22FN3O3 — CID 158182426

IUPAC5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide
SMILESCCCc1cc(F)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O
InChIInChI=1S/C22H22FN3O3/c1-3-5-15-13-17(23)18(25-19(15)20(24)27)16-7-4-6-14(12-16)8-9-22(29)10-11-26(2)21(22)28/h4,6-7,12-13,29H,3,5,10-11H2,1-2H3,(H2,24,27)/t22-/m0/s1
InChIKeyHWYCURVRKIMZNG-QFIPXVFZSA-N
MW395.43 g/mol
LogP1.88
Rot. Bonds4

About 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide

5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide (PubChem CID 158182426) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide
PubChem CID158182426
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide
SMILESCCCc1cc(F)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O
InChIInChI=1S/C22H22FN3O3/c1-3-5-15-13-17(23)18(25-19(15)20(24)27)16-7-4-6-14(12-16)8-9-22(29)10-11-26(2)21(22)28/h4,6-7,12-13,29H,3,5,10-11H2,1-2H3,(H2,24,27)/t22-/m0/s1
InChIKeyHWYCURVRKIMZNG-QFIPXVFZSA-N
XLogP1.88
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-5-fluoro-6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxylate
CID 123256368
3-(difluoromethyl)-6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
CID 123922620
7-fluoro-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]quinazoline-4-carboxamide
CID 123676299
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
ethyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxy-1,3-thiazole-2-carboxylate
CID 122508544
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]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 159310904
ethyl 5-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxylate
CID 122522158
(3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
CID 154341385
1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide
CID 123417549
(3R)-3-hydroxy-1-methyl-3-[2-(3-methylphenyl)ethynyl]pyrrolidin-2-one
CID 130261652

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide?
The IUPAC name of 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide (CID 158182426) is 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide is CCCc1cc(F)c(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O.
What is the InChIKey of 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide?
The InChIKey is HWYCURVRKIMZNG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-3-5-15-13-17(23)18(25-19(15)20(24)27)16-7-4-6-14(12-16)8-9-22(29)10-11-26(2)21(22)28/h4,6-7,12-13,29H,3,5,10-11H2,1-2H3,(H2,24,27)/t22-/m0/s1.
What are the key properties of 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide?
5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide is sourced from PubChem (CID 158182426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).