N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C17H14F3N5O2 — CID 56742651

IUPACN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)c2cc(C(F)(F)F)[nH]n2)cn1
InChIInChI=1S/C17H14F3N5O2/c1-10-4-5-12(9-22-10)27-16-11(3-2-6-21-16)8-23-15(26)13-7-14(25-24-13)17(18,19)20/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyKGMHNCQNXYSYRA-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.25
Rot. Bonds5

About N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56742651) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID56742651
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)c2cc(C(F)(F)F)[nH]n2)cn1
InChIInChI=1S/C17H14F3N5O2/c1-10-4-5-12(9-22-10)27-16-11(3-2-6-21-16)8-23-15(26)13-7-14(25-24-13)17(18,19)20/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyKGMHNCQNXYSYRA-UHFFFAOYSA-N
XLogP3.25
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-2-hydroxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 56748690
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
6-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25288779
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42396037
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 56755106
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42291285
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62287354
6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
CID 37298369
(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 95226722
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 56742651) is N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(Oc2ncccc2CNC(=O)c2cc(C(F)(F)F)[nH]n2)cn1.
What is the InChIKey of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KGMHNCQNXYSYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-10-4-5-12(9-22-10)27-16-11(3-2-6-21-16)8-23-15(26)13-7-14(25-24-13)17(18,19)20/h2-7,9H,8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56742651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).