4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

C21H18F3N5O2 — CID 174174718

IUPAC4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1OC1CN(c2cnccn2)C1
InChIInChI=1S/C21H18F3N5O2/c1-13-2-3-14(20(30)28-16-7-15(8-26-9-16)21(22,23)24)6-18(13)31-17-11-29(12-17)19-10-25-4-5-27-19/h2-10,17H,11-12H2,1H3,(H,28,30)
InChIKeyCQCNBVKMTVQVGV-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.72
Rot. Bonds5

About 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 174174718) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID174174718
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1OC1CN(c2cnccn2)C1
InChIInChI=1S/C21H18F3N5O2/c1-13-2-3-14(20(30)28-16-7-15(8-26-9-16)21(22,23)24)6-18(13)31-17-11-29(12-17)19-10-25-4-5-27-19/h2-10,17H,11-12H2,1H3,(H,28,30)
InChIKeyCQCNBVKMTVQVGV-UHFFFAOYSA-N
XLogP3.72
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170733818
4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174761
4-methyl-3-[(3S)-1-[3-(methylamino)pyrazin-2-yl]pyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176009
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066
N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide
CID 174176081
4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174766
4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174763
3-[1-[5-(difluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174175974
4-methyl-3-[[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174745
4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 175983784
3-[(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyrimidin-5-ylpyrrolidin-3-yl]-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 174174718) is 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1OC1CN(c2cnccn2)C1.
What is the InChIKey of 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is CQCNBVKMTVQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-13-2-3-14(20(30)28-16-7-15(8-26-9-16)21(22,23)24)6-18(13)31-17-11-29(12-17)19-10-25-4-5-27-19/h2-10,17H,11-12H2,1H3,(H,28,30).
What are the key properties of 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 429.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 174174718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).