N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide

C23H21N5O3 — CID 171635999

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Oc3ccnc(-n4cccn4)c3)c2C)cn1
InChIInChI=1S/C23H21N5O3/c1-16-19(23(29)26-15-17-7-8-22(30-2)25-14-17)5-3-6-20(16)31-18-9-11-24-21(13-18)28-12-4-10-27-28/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyVNAWRATWYVECAA-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.70
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide (PubChem CID 171635999) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
PubChem CID171635999
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Oc3ccnc(-n4cccn4)c3)c2C)cn1
InChIInChI=1S/C23H21N5O3/c1-16-19(23(29)26-15-17-7-8-22(30-2)25-14-17)5-3-6-20(16)31-18-9-11-24-21(13-18)28-12-4-10-27-28/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyVNAWRATWYVECAA-UHFFFAOYSA-N
XLogP3.70
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide
CID 171635393
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide
CID 171635312
N-[(4-fluorophenyl)methyl]-2-methyl-3-[[2-[(E)-1-methyliminobut-2-en-2-yl]-4-pyridinyl]oxy]benzamide
CID 171635273
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide
CID 171635621
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
ethane;2-methyl-N-[4-[2-methyl-3-[1-[(6-methyl-3-pyridinyl)methylamino]ethenyl]phenoxy]-2-pyridinyl]pyrazole-3-carboxamide
CID 171635503
N-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethylcarbamoyl)-2-methylphenoxy]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 171635265
N-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-[(E)-1-methyliminobut-2-en-2-yl]-4-pyridinyl]oxy]benzamide
CID 171634910
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55743443

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide (CID 171635999) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide is COc1ccc(CNC(=O)c2cccc(Oc3ccnc(-n4cccn4)c3)c2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide?
The InChIKey is VNAWRATWYVECAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-16-19(23(29)26-15-17-7-8-22(30-2)25-14-17)5-3-6-20(16)31-18-9-11-24-21(13-18)28-12-4-10-27-28/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide?
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide has a molecular weight of 415.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide is sourced from PubChem (CID 171635999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).