N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide

C28H21FN4O3 — CID 171635157

IUPACN-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(CC(=O)c3cccnc3)c2)cccc1C(=O)NCc1ccc(C#N)c(F)c1
InChIInChI=1S/C28H21FN4O3/c1-18-24(28(35)33-16-19-7-8-20(15-30)25(29)12-19)5-2-6-27(18)36-23-9-11-32-22(13-23)14-26(34)21-4-3-10-31-17-21/h2-13,17H,14,16H2,1H3,(H,33,35)
InChIKeyOSUQVYBBKNMUCJ-UHFFFAOYSA-N
MW480.50 g/mol
LogP4.94
Rot. Bonds8

About N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide

N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide (PubChem CID 171635157) has the molecular formula C28H21FN4O3 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide
PubChem CID171635157
Molecular FormulaC28H21FN4O3
Molecular Weight480.50 g/mol
Exact Mass480.16
IUPAC NameN-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(CC(=O)c3cccnc3)c2)cccc1C(=O)NCc1ccc(C#N)c(F)c1
InChIInChI=1S/C28H21FN4O3/c1-18-24(28(35)33-16-19-7-8-20(15-30)25(29)12-19)5-2-6-27(18)36-23-9-11-32-22(13-23)14-26(34)21-4-3-10-31-17-21/h2-13,17H,14,16H2,1H3,(H,33,35)
InChIKeyOSUQVYBBKNMUCJ-UHFFFAOYSA-N
XLogP4.94
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide
CID 171635312
N-[(3,4-difluorophenyl)methyl]-3-[[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-pyridinyl]oxy]-2-methylbenzamide;ethane
CID 171634936
N-[(3,5-difluorophenyl)methyl]-3-[[2-(6-fluoro-3-pyridinyl)-4-pyridinyl]oxy]-2-methylbenzamide
CID 171634914
N-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-3-[[2-[(E)-1-methyliminobut-2-en-2-yl]-4-pyridinyl]oxy]benzamide;ethane
CID 171635688
3-[[2-[1-(2-cyanoethyl)pyrrol-3-yl]-4-pyridinyl]oxy]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
CID 171635011
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
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-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635810
N-[(3-acetylphenyl)methyl]-3-(7-chloroquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-acetylphenyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(4-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(4-cyanophenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 167667459
N-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-[(E)-1-methyliminobut-2-en-2-yl]-4-pyridinyl]oxy]benzamide
CID 171634910
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide (CID 171635157) is N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide is Cc1c(Oc2ccnc(CC(=O)c3cccnc3)c2)cccc1C(=O)NCc1ccc(C#N)c(F)c1.
What is the InChIKey of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide?
The InChIKey is OSUQVYBBKNMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4O3/c1-18-24(28(35)33-16-19-7-8-20(15-30)25(29)12-19)5-2-6-27(18)36-23-9-11-32-22(13-23)14-26(34)21-4-3-10-31-17-21/h2-13,17H,14,16H2,1H3,(H,33,35).
What are the key properties of N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide?
N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide has a molecular weight of 480.50 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-3-fluorophenyl)methyl]-2-methyl-3-[[2-(2-oxo-2-pyridin-3-ylethyl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).