N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C22H21F3N4O2 — CID 71451076

IUPACN-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCc1ncc(-c2ccccc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H21F3N4O2/c1-15-27-13-18(14-28-15)19-5-3-2-4-16(19)8-10-26-21(30)17-6-7-20(29-12-17)31-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
InChIKeyXSDFMPFYIVEUAO-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.15
Rot. Bonds8

About N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71451076) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71451076
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCc1ncc(-c2ccccc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H21F3N4O2/c1-15-27-13-18(14-28-15)19-5-3-2-4-16(19)8-10-26-21(30)17-6-7-20(29-12-17)31-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
InChIKeyXSDFMPFYIVEUAO-UHFFFAOYSA-N
XLogP4.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Filorexant
CID 25128145
Dora-22
CID 25126515
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 71544013
6-amino-5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544354
6-amino-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]pyridine-3-carboxamide
CID 89462922
2-amino-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 89463725
N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 45487797
(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424831
N-[(3S)-5-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 66813671
N-[(3S)-5-pyrimidin-5-yl-3,4-dihydro-2H-chromen-3-yl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 66813839
N-[(3S)-5-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66813914

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71451076) is N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is Cc1ncc(-c2ccccc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1.
What is the InChIKey of N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is XSDFMPFYIVEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-15-27-13-18(14-28-15)19-5-3-2-4-16(19)8-10-26-21(30)17-6-7-20(29-12-17)31-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30).
What are the key properties of N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71451076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).