N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide

C23H20F3N3O5 — CID 46898506

IUPACN-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccco4)CC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O5/c1-32-15-6-7-18(17(11-15)23(24,25)26)34-16-5-4-14(27-13-16)12-28-21(31)22(8-9-22)29-20(30)19-3-2-10-33-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,28,31)(H,29,30)
InChIKeyGCSORWUGWZHUGQ-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.07
Rot. Bonds8

About N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide

N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide (PubChem CID 46898506) has the molecular formula C23H20F3N3O5 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide
PubChem CID46898506
Molecular FormulaC23H20F3N3O5
Molecular Weight475.42 g/mol
Exact Mass475.14
IUPAC NameN-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccco4)CC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O5/c1-32-15-6-7-18(17(11-15)23(24,25)26)34-16-5-4-14(27-13-16)12-28-21(31)22(8-9-22)29-20(30)19-3-2-10-33-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,28,31)(H,29,30)
InChIKeyGCSORWUGWZHUGQ-UHFFFAOYSA-N
XLogP4.07
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide
CID 46898753
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 46899287
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 46899377
1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 70854638
5-amino-N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 46898751
1-[(4-imino-2-oxopentanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 91022559
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide
CID 46898219
N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
CID 90692247
6-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 89035809
N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90848760
N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2H-triazole-4-carboxamide
CID 70854646
5-amino-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854611

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide?
The IUPAC name of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide (CID 46898506) is N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide is COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccco4)CC3)nc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide?
The InChIKey is GCSORWUGWZHUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O5/c1-32-15-6-7-18(17(11-15)23(24,25)26)34-16-5-4-14(27-13-16)12-28-21(31)22(8-9-22)29-20(30)19-3-2-10-33-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide?
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide is sourced from PubChem (CID 46898506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).