N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide

C23H21N3O3 — CID 46428427

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H21N3O3/c1-15(2)28-19-8-6-17(7-9-19)22(27)26-21-11-10-20(13-16(21)3)29-23-18(14-24)5-4-12-25-23/h4-13,15H,1-3H3,(H,26,27)
InChIKeyPFOUBRMGHOIZRL-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.09
Rot. Bonds6

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide (PubChem CID 46428427) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
PubChem CID46428427
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H21N3O3/c1-15(2)28-19-8-6-17(7-9-19)22(27)26-21-11-10-20(13-16(21)3)29-23-18(14-24)5-4-12-25-23/h4-13,15H,1-3H3,(H,26,27)
InChIKeyPFOUBRMGHOIZRL-UHFFFAOYSA-N
XLogP5.09
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 51114372
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-ethyl-1,3-thiazole-5-carboxamide
CID 48576700
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]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55764190
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 167915628
7-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 55647529
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-(4-nitrophenyl)sulfanylpropanamide
CID 46485378
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 46428399
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]-2-(2-nitrophenyl)acetamide
CID 55647504

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide (CID 46428427) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide?
The InChIKey is PFOUBRMGHOIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(2)28-19-8-6-17(7-9-19)22(27)26-21-11-10-20(13-16(21)3)29-23-18(14-24)5-4-12-25-23/h4-13,15H,1-3H3,(H,26,27).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 46428427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).