2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide

C22H23F3N2O3 — CID 46942721

IUPAC2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1
InChIInChI=1S/C22H23F3N2O3/c1-21(20(28)27-13-14-6-9-29-10-7-14)12-18-17(5-8-26-19(18)30-21)15-3-2-4-16(11-15)22(23,24)25/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,27,28)
InChIKeyJPIMTAUNFNBCST-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.00
Rot. Bonds4

About 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide

2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46942721) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46942721
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1
InChIInChI=1S/C22H23F3N2O3/c1-21(20(28)27-13-14-6-9-29-10-7-14)12-18-17(5-8-26-19(18)30-21)15-3-2-4-16(11-15)22(23,24)25/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,27,28)
InChIKeyJPIMTAUNFNBCST-UHFFFAOYSA-N
XLogP4.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyridin-2-yl]oxypropanamide
CID 11180291
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
CID 11432710
4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942921
4-(3-acetamidophenyl)-N-(6-methoxy-3-pyridinyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 49789617
4-(3-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942521
4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 46943732
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 46943954
4-(3-fluorophenyl)-N-methyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46944191
4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 46947924
N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
CID 46948117
4-(3-fluorophenyl)-N-[3-(methanesulfonamido)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46948266
N-benzyl-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49778387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46942721) is 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide is CC1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1.
What is the InChIKey of 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is JPIMTAUNFNBCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-21(20(28)27-13-14-6-9-29-10-7-14)12-18-17(5-8-26-19(18)30-21)15-3-2-4-16(11-15)22(23,24)25/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,27,28).
What are the key properties of 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide?
2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46942721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).