N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide

C24H19F3N4O4 — CID 123505940

IUPACN-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)C2C(NC(=O)Nc4cccc(C(F)(F)F)c4)C2O3)ccn1
InChIInChI=1S/C24H19F3N4O4/c1-28-22(32)17-11-15(7-8-29-17)34-14-5-6-18-16(10-14)19-20(21(19)35-18)31-23(33)30-13-4-2-3-12(9-13)24(25,26)27/h2-11,19-21H,1H3,(H,28,32)(H2,30,31,33)
InChIKeyFERBXDPDYGMTPD-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.30
Rot. Bonds5

About N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 123505940) has the molecular formula C24H19F3N4O4 and a molecular weight of 484.43 g/mol. Its IUPAC name is N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide
PubChem CID123505940
Molecular FormulaC24H19F3N4O4
Molecular Weight484.43 g/mol
Exact Mass484.14
IUPAC NameN-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)C2C(NC(=O)Nc4cccc(C(F)(F)F)c4)C2O3)ccn1
InChIInChI=1S/C24H19F3N4O4/c1-28-22(32)17-11-15(7-8-29-17)34-14-5-6-18-16(10-14)19-20(21(19)35-18)31-23(33)30-13-4-2-3-12(9-13)24(25,26)27/h2-11,19-21H,1H3,(H,28,32)(H2,30,31,33)
InChIKeyFERBXDPDYGMTPD-UHFFFAOYSA-N
XLogP4.30
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,1aS,6bS)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]carbamic acid
CID 121377565
1-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 123670048
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-(2-hydroxyethyl)formamide;N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143211467
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
4-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919812

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide (CID 123505940) is N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)C2C(NC(=O)Nc4cccc(C(F)(F)F)c4)C2O3)ccn1.
What is the InChIKey of N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is FERBXDPDYGMTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4/c1-28-22(32)17-11-15(7-8-29-17)34-14-5-6-18-16(10-14)19-20(21(19)35-18)31-23(33)30-13-4-2-3-12(9-13)24(25,26)27/h2-11,19-21H,1H3,(H,28,32)(H2,30,31,33).
What are the key properties of N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 123505940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).