N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide

C24H22N4O4 — CID 46428399

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H22N4O4/c1-16-13-18(32-24-17(14-25)7-6-12-26-24)10-11-20(16)27-23(30)19-8-4-5-9-21(19)31-15-22(29)28(2)3/h4-13H,15H2,1-3H3,(H,27,30)
InChIKeyFMHPXHLFKWOPNP-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide (PubChem CID 46428399) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
PubChem CID46428399
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H22N4O4/c1-16-13-18(32-24-17(14-25)7-6-12-26-24)10-11-20(16)27-23(30)19-8-4-5-9-21(19)31-15-22(29)28(2)3/h4-13H,15H2,1-3H3,(H,27,30)
InChIKeyFMHPXHLFKWOPNP-UHFFFAOYSA-N
XLogP3.77
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 46485355
5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 167915628
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576700
3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48667487
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55764190
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
CID 55763912
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112830947
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 55647504

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide (CID 46428399) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The InChIKey is FMHPXHLFKWOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16-13-18(32-24-17(14-25)7-6-12-26-24)10-11-20(16)27-23(30)19-8-4-5-9-21(19)31-15-22(29)28(2)3/h4-13H,15H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide has a molecular weight of 430.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 46428399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).