N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

C21H21F2NO4 — CID 170512927

IUPACN-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NC1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C21H21F2NO4/c1-12-10-17(13-4-8-27-9-5-13)28-20(26)18(12)19(25)24-21(6-7-21)15-11-14(22)2-3-16(15)23/h2-3,10-11,13H,4-9H2,1H3,(H,24,25)
InChIKeyJPLGOCPZUXSFBK-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.54
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (PubChem CID 170512927) has the molecular formula C21H21F2NO4 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
PubChem CID170512927
Molecular FormulaC21H21F2NO4
Molecular Weight389.40 g/mol
Exact Mass389.14
IUPAC NameN-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NC1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C21H21F2NO4/c1-12-10-17(13-4-8-27-9-5-13)28-20(26)18(12)19(25)24-21(6-7-21)15-11-14(22)2-3-16(15)23/h2-3,10-11,13H,4-9H2,1H3,(H,24,25)
InChIKeyJPLGOCPZUXSFBK-UHFFFAOYSA-N
XLogP3.54
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510129
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
CID 131908378
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171713510
4-methyl-6-(oxan-4-yl)-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyran-3-carboxamide
CID 170513109
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
CID 170508114
6-cyclobutyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510285
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170505635
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170504638
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170507041
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 74239991

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (CID 170512927) is N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)NC1(c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The InChIKey is JPLGOCPZUXSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO4/c1-12-10-17(13-4-8-27-9-5-13)28-20(26)18(12)19(25)24-21(6-7-21)15-11-14(22)2-3-16(15)23/h2-3,10-11,13H,4-9H2,1H3,(H,24,25).
What are the key properties of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170512927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).