1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one

C19H21F2N3O4 — CID 162437799

IUPAC1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
SMILESCOc1cc(F)c(C2CC(=O)N(c3cccn(CC(N)CO)c3=O)C2)c(F)c1
InChIInChI=1S/C19H21F2N3O4/c1-28-13-6-14(20)18(15(21)7-13)11-5-17(26)24(8-11)16-3-2-4-23(19(16)27)9-12(22)10-25/h2-4,6-7,11-12,25H,5,8-10,22H2,1H3
InChIKeyVKLDDSGJBRBUBJ-UHFFFAOYSA-N
MW393.39 g/mol
LogP0.98
Rot. Bonds6

About 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one

1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one (PubChem CID 162437799) has the molecular formula C19H21F2N3O4 and a molecular weight of 393.39 g/mol. Its IUPAC name is 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
PubChem CID162437799
Molecular FormulaC19H21F2N3O4
Molecular Weight393.39 g/mol
Exact Mass393.15
IUPAC Name1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
SMILESCOc1cc(F)c(C2CC(=O)N(c3cccn(CC(N)CO)c3=O)C2)c(F)c1
InChIInChI=1S/C19H21F2N3O4/c1-28-13-6-14(20)18(15(21)7-13)11-5-17(26)24(8-11)16-3-2-4-23(19(16)27)9-12(22)10-25/h2-4,6-7,11-12,25H,5,8-10,22H2,1H3
InChIKeyVKLDDSGJBRBUBJ-UHFFFAOYSA-N
XLogP0.98
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2,3-dihydroxypropyl)pyridin-2-one;fluoromethanol;4-fluoro-N-methylbenzamide
CID 162437890
3-[(4R)-4-(2-fluoro-6-iodo-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 170366587
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methoxyethyl)pyridin-2-one;4-(trifluoromethyl)benzamide
CID 162437923
4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethanimidoyl-2-imino-3-pyridinyl)pyrrolidin-2-one
CID 162437881
3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one
CID 170366975
5-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyrimidin-4-one
CID 162437304
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-[3-methoxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]pyridin-2-one
CID 162437418
3-[(2S,3R)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrrolidin-1-yl]-1-(2-hydroxyethyl)pyridin-2-one
CID 170264622
3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one
CID 162437576
6-ethyl-3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367683
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(1-fluoroethoxy)benzamide
CID 170367818

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one?
The IUPAC name of 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one (CID 162437799) is 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one.
What is the SMILES notation for 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one?
The canonical SMILES for 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one is COc1cc(F)c(C2CC(=O)N(c3cccn(CC(N)CO)c3=O)C2)c(F)c1.
What is the InChIKey of 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one?
The InChIKey is VKLDDSGJBRBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4/c1-28-13-6-14(20)18(15(21)7-13)11-5-17(26)24(8-11)16-3-2-4-23(19(16)27)9-12(22)10-25/h2-4,6-7,11-12,25H,5,8-10,22H2,1H3.
What are the key properties of 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one?
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one has a molecular weight of 393.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one is sourced from PubChem (CID 162437799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).