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

C25H22N4O3 — CID 171635312

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4cccnc4)c3)c2C)cn1
InChIInChI=1S/C25H22N4O3/c1-17-21(25(30)29-15-18-8-9-24(31-2)28-14-18)6-3-7-23(17)32-20-10-12-27-22(13-20)19-5-4-11-26-16-19/h3-14,16H,15H2,1-2H3,(H,29,30)
InChIKeyFKLOPLPAOWIGHB-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.58
Rot. Bonds7

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

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide (PubChem CID 171635312) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide
PubChem CID171635312
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4cccnc4)c3)c2C)cn1
InChIInChI=1S/C25H22N4O3/c1-17-21(25(30)29-15-18-8-9-24(31-2)28-14-18)6-3-7-23(17)32-20-10-12-27-22(13-20)19-5-4-11-26-16-19/h3-14,16H,15H2,1-2H3,(H,29,30)
InChIKeyFKLOPLPAOWIGHB-UHFFFAOYSA-N
XLogP4.58
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
CID 171635999
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide
CID 171635393
N-[(3,5-difluorophenyl)methyl]-3-[[2-(6-fluoro-3-pyridinyl)-4-pyridinyl]oxy]-2-methylbenzamide
CID 171634914
N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide
CID 171635157
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635810
N-[(3,5-difluorophenyl)methyl]-3-[[2-[3-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]phenyl]-4-pyridinyl]oxy]-2-methylbenzamide
CID 171635038
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635424
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
3-[[2-[1-(2-cyanoethyl)pyrrol-3-yl]-4-pyridinyl]oxy]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
CID 171635011
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide (CID 171635312) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide is COc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4cccnc4)c3)c2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide?
The InChIKey is FKLOPLPAOWIGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-21(25(30)29-15-18-8-9-24(31-2)28-14-18)6-3-7-23(17)32-20-10-12-27-22(13-20)19-5-4-11-26-16-19/h3-14,16H,15H2,1-2H3,(H,29,30).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide?
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide is sourced from PubChem (CID 171635312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).