3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide

C21H24F2N2O3 — CID 175542256

IUPAC3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide
SMILESCOc1c(C2C(C(=O)Nc3cccnc3)OC(C(C)C)C2C)ccc(F)c1F
InChIInChI=1S/C21H24F2N2O3/c1-11(2)18-12(3)16(14-7-8-15(22)17(23)19(14)27-4)20(28-18)21(26)25-13-6-5-9-24-10-13/h5-12,16,18,20H,1-4H3,(H,25,26)
InChIKeyRQMGCLHQNRCTDC-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.15
Rot. Bonds5

About 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide

3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide (PubChem CID 175542256) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide
PubChem CID175542256
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide
SMILESCOc1c(C2C(C(=O)Nc3cccnc3)OC(C(C)C)C2C)ccc(F)c1F
InChIInChI=1S/C21H24F2N2O3/c1-11(2)18-12(3)16(14-7-8-15(22)17(23)19(14)27-4)20(28-18)21(26)25-13-6-5-9-24-10-13/h5-12,16,18,20H,1-4H3,(H,25,26)
InChIKeyRQMGCLHQNRCTDC-UHFFFAOYSA-N
XLogP4.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5R)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyloxolane-2-carboxamide
CID 170407805
methyl 4-[[(2R,3S,4S,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyloxolane-2-carbonyl]amino]pyridine-2-carboxylate
CID 165176326
(2R,3S,4S)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395646
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(oxetan-3-ylmethoxy)phenyl]-4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211857
4-[[(2S,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5,5-trimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046603
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212379
(2R,3S,4S,5R)-N-(6-bromo-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211949
(2R,3S,4S,5R)-N-(2-aminopyrimidin-5-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170959238
3-deuterio-4-[[(2R,3S,4S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5,5-trimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 158193084
(2S,3R,4R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 166160259
(2S,3R,4R,5S)-N-(2-amino-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 176882162
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]pyrimidin-5-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166583806

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide?
The IUPAC name of 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide (CID 175542256) is 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide.
What is the SMILES notation for 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide?
The canonical SMILES for 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide is COc1c(C2C(C(=O)Nc3cccnc3)OC(C(C)C)C2C)ccc(F)c1F.
What is the InChIKey of 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide?
The InChIKey is RQMGCLHQNRCTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-11(2)18-12(3)16(14-7-8-15(22)17(23)19(14)27-4)20(28-18)21(26)25-13-6-5-9-24-10-13/h5-12,16,18,20H,1-4H3,(H,25,26).
What are the key properties of 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide?
3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-propan-2-yl-N-pyridin-3-yloxolane-2-carboxamide is sourced from PubChem (CID 175542256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).