N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide

C19H18F3N3O3 — CID 162437591

IUPACN-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide
SMILESCOc1cc(F)c(C2CC(=O)N(c3nc(N(C)C(C)=O)ccc3F)C2)c(F)c1
InChIInChI=1S/C19H18F3N3O3/c1-10(26)24(2)16-5-4-13(20)19(23-16)25-9-11(6-17(25)27)18-14(21)7-12(28-3)8-15(18)22/h4-5,7-8,11H,6,9H2,1-3H3
InChIKeyFGHHWWVZCNUCCW-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.01
Rot. Bonds4

About N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide

N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide (PubChem CID 162437591) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide
PubChem CID162437591
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide
SMILESCOc1cc(F)c(C2CC(=O)N(c3nc(N(C)C(C)=O)ccc3F)C2)c(F)c1
InChIInChI=1S/C19H18F3N3O3/c1-10(26)24(2)16-5-4-13(20)19(23-16)25-9-11(6-17(25)27)18-14(21)7-12(28-3)8-15(18)22/h4-5,7-8,11H,6,9H2,1-3H3
InChIKeyFGHHWWVZCNUCCW-UHFFFAOYSA-N
XLogP3.01
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 695685
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 156015366
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 156021646
(E)-N-(5-(3-(3-(4-methoxyphenyl)pyrrolidin-1-yl)-3-oxoprop-1-en-1-yl)pyridin-2-yl)acetamide
CID 122243075
2-[4-[(3R)-1-[6-(difluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 117710967
2-[4-[(3R)-1-[6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 117711013
N-ethyl-2-[4-[(3R)-1-(5-fluoro-6-methyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]propanamide
CID 117711017
N-ethyl-2-[4-[(3R)-1-[5-fluoro-6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]oxyphenyl]propanamide
CID 117711026
N-ethyl-2-[4-[(3R)-1-(3-fluoro-6-methyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]propanamide
CID 117711044
N-ethyl-2-[4-[(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]propanamide
CID 117711065
N-ethyl-2-[4-[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]oxyphenyl]propanamide
CID 117711101
2-[4-[(3R)-1-[5-[(2,2-difluorocyclopropyl)methoxy]pyridin-2-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethyl-N-methylpropanamide
CID 118919142

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide?
The IUPAC name of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide (CID 162437591) is N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide.
What is the SMILES notation for N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide?
The canonical SMILES for N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide is COc1cc(F)c(C2CC(=O)N(c3nc(N(C)C(C)=O)ccc3F)C2)c(F)c1.
What is the InChIKey of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide?
The InChIKey is FGHHWWVZCNUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-10(26)24(2)16-5-4-13(20)19(23-16)25-9-11(6-17(25)27)18-14(21)7-12(28-3)8-15(18)22/h4-5,7-8,11H,6,9H2,1-3H3.
What are the key properties of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide?
N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide has a molecular weight of 393.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 162437591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).