3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide

C23H19F2N3O3 — CID 10993555

IUPAC3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1Oc1nc(Oc2cccc(C#N)c2)c(F)c(C)c1F
InChIInChI=1S/C23H19F2N3O3/c1-13-8-9-16(23(29)28(3)4)11-18(13)31-22-20(25)14(2)19(24)21(27-22)30-17-7-5-6-15(10-17)12-26/h5-11H,1-4H3
InChIKeyTZZRWGHXYBAFIP-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.13
Rot. Bonds5

About 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide

3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide (PubChem CID 10993555) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide
PubChem CID10993555
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC Name3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1Oc1nc(Oc2cccc(C#N)c2)c(F)c(C)c1F
InChIInChI=1S/C23H19F2N3O3/c1-13-8-9-16(23(29)28(3)4)11-18(13)31-22-20(25)14(2)19(24)21(27-22)30-17-7-5-6-15(10-17)12-26/h5-11H,1-4H3
InChIKeyTZZRWGHXYBAFIP-UHFFFAOYSA-N
XLogP5.13
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide with MolForge

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Related Compounds

3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-4-methoxybenzoic acid
CID 23441835
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid
CID 23441720
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
CID 70081497
3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy](13C,15N)benzonitrile
CID 10611771
3-[[6-(5-carbamimidoyl-2-methoxyphenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N-dimethylbenzamide
CID 10623670
3-[[3,5-difluoro-4-methyl-6-(3-nitrophenoxy)-2-pyridinyl]oxy]benzonitrile
CID 11025383
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 56992082
3-[[4-(5-cyano-2-methylphenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide
CID 22102771
2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide
CID 10596169
2-[4-[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-difluoro-4-pyridinyl]piperazin-1-yl]acetic acid
CID 23441780
3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide (CID 10993555) is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1Oc1nc(Oc2cccc(C#N)c2)c(F)c(C)c1F.
What is the InChIKey of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide?
The InChIKey is TZZRWGHXYBAFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c1-13-8-9-16(23(29)28(3)4)11-18(13)31-22-20(25)14(2)19(24)21(27-22)30-17-7-5-6-15(10-17)12-26/h5-11H,1-4H3.
What are the key properties of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide?
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide has a molecular weight of 423.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 10993555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).