3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one

C22H24F2N2O2 — CID 58452243

IUPAC3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESCc1cc(C(C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)ccc1C(F)F
InChIInChI=1S/C22H24F2N2O2/c1-12-10-14(4-6-16(12)21(23)24)18(11-15-5-9-20(27)25-15)19-8-7-17(13-2-3-13)22(28)26-19/h4,6-8,10,13,15,18,21H,2-3,5,9,11H2,1H3,(H,25,27)(H,26,28)/t15-,18?/m1/s1
InChIKeyJDXUEWCGMJOSLB-NNJIEVJOSA-N
MW386.44 g/mol
LogP4.30
Rot. Bonds6

About 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one

3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (PubChem CID 58452243) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
PubChem CID58452243
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESCc1cc(C(C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)ccc1C(F)F
InChIInChI=1S/C22H24F2N2O2/c1-12-10-14(4-6-16(12)21(23)24)18(11-15-5-9-20(27)25-15)19-8-7-17(13-2-3-13)22(28)26-19/h4,6-8,10,13,15,18,21H,2-3,5,9,11H2,1H3,(H,25,27)(H,26,28)/t15-,18?/m1/s1
InChIKeyJDXUEWCGMJOSLB-NNJIEVJOSA-N
XLogP4.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (CID 58452243) is 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one is Cc1cc(C(C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)ccc1C(F)F.
What is the InChIKey of 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The InChIKey is JDXUEWCGMJOSLB-NNJIEVJOSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-12-10-14(4-6-16(12)21(23)24)18(11-15-5-9-20(27)25-15)19-8-7-17(13-2-3-13)22(28)26-19/h4,6-8,10,13,15,18,21H,2-3,5,9,11H2,1H3,(H,25,27)(H,26,28)/t15-,18?/m1/s1.
What are the key properties of 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one has a molecular weight of 386.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[1-[4-(difluoromethyl)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).