1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide

C24H32F2N4O4 — CID 166161169

IUPAC1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide
SMILESCC.CC1CCC(C(=O)Nc2ccnc(N3CCNCC3=O)c2)O1.COc1cccc(F)c1F
InChIInChI=1S/C15H20N4O3.C7H6F2O.C2H6/c1-10-2-3-12(22-10)15(21)18-11-4-5-17-13(8-11)19-7-6-16-9-14(19)20;1-10-6-4-2-3-5(8)7(6)9;1-2/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3,(H,17,18,21);2-4H,1H3;1-2H3
InChIKeySUDSDOXRBZVHCR-UHFFFAOYSA-N
MW478.54 g/mol
LogP3.52
Rot. Bonds4

About 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide

1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide (PubChem CID 166161169) has the molecular formula C24H32F2N4O4 and a molecular weight of 478.54 g/mol. Its IUPAC name is 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide
PubChem CID166161169
Molecular FormulaC24H32F2N4O4
Molecular Weight478.54 g/mol
Exact Mass478.24
IUPAC Name1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide
SMILESCC.CC1CCC(C(=O)Nc2ccnc(N3CCNCC3=O)c2)O1.COc1cccc(F)c1F
InChIInChI=1S/C15H20N4O3.C7H6F2O.C2H6/c1-10-2-3-12(22-10)15(21)18-11-4-5-17-13(8-11)19-7-6-16-9-14(19)20;1-10-6-4-2-3-5(8)7(6)9;1-2/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3,(H,17,18,21);2-4H,1H3;1-2H3
InChIKeySUDSDOXRBZVHCR-UHFFFAOYSA-N
XLogP3.52
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
2-(difluoromethyl)-1-fluoro-3-methoxybenzene;5-methyl-N-[2-(4-methyl-2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160960
N-(3H-benzimidazol-5-yl)-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166160168
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166159273
1,2-difluoro-3-methoxybenzene;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide;6-oxa-3-azabicyclo[3.1.1]heptane-3-carbaldehyde
CID 166159460
N-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166161060
1,2-difluoro-3-methoxybenzene;N-[2-(hydroxymethyl)-3-methylimidazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160892
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide
CID 166160281
1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
CID 156750201

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide (CID 166161169) is 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide is CC.CC1CCC(C(=O)Nc2ccnc(N3CCNCC3=O)c2)O1.COc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide?
The InChIKey is SUDSDOXRBZVHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.C7H6F2O.C2H6/c1-10-2-3-12(22-10)15(21)18-11-4-5-17-13(8-11)19-7-6-16-9-14(19)20;1-10-6-4-2-3-5(8)7(6)9;1-2/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3,(H,17,18,21);2-4H,1H3;1-2H3.
What are the key properties of 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide?
1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 166161169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).