N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C22H22F3N3O2 — CID 142550208

IUPACN-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C22H22F3N3O2/c1-3-13-28(4-2)18-6-5-16(22(23,24)25)14-17(18)27-21(29)20-8-7-19(30-20)15-9-11-26-12-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,27,29)
InChIKeyYAUYXFNAZPJZRC-UHFFFAOYSA-N
MW417.43 g/mol
LogP5.85
Rot. Bonds7

About N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 142550208) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID142550208
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC NameN-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C22H22F3N3O2/c1-3-13-28(4-2)18-6-5-16(22(23,24)25)14-17(18)27-21(29)20-8-7-19(30-20)15-9-11-26-12-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,27,29)
InChIKeyYAUYXFNAZPJZRC-UHFFFAOYSA-N
XLogP5.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 138505468
N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129032608
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
1-benzyl-N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30997583
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25414352
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55757393
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792140
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 18281244
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 142550208) is N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is CCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2ccncc2)o1.
What is the InChIKey of N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is YAUYXFNAZPJZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-3-13-28(4-2)18-6-5-16(22(23,24)25)14-17(18)27-21(29)20-8-7-19(30-20)15-9-11-26-12-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,27,29).
What are the key properties of N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 142550208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).