N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C22H20F3N3O3 — CID 32584893

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)17-3-1-2-16(13-17)18-4-5-19(31-18)21(29)27-14-15-6-7-26-20(12-15)28-8-10-30-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,29)
InChIKeySYRIEEQHANSFNF-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.13
Rot. Bonds5

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 32584893) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID32584893
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)17-3-1-2-16(13-17)18-4-5-19(31-18)21(29)27-14-15-6-7-26-20(12-15)28-8-10-30-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,29)
InChIKeySYRIEEQHANSFNF-UHFFFAOYSA-N
XLogP4.13
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122318873
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46401276
5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 117088244
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 48731441
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
2-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117087877
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32584541
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-(4-morpholin-4-ylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092220

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 32584893) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is SYRIEEQHANSFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c23-22(24,25)17-3-1-2-16(13-17)18-4-5-19(31-18)21(29)27-14-15-6-7-26-20(12-15)28-8-10-30-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,29).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 32584893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).