2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide

C22H16N4O3 — CID 10596169

IUPAC2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2cccc(C#N)c2)nc1Oc1cccc(C#N)c1
InChIInChI=1S/C22H16N4O3/c1-26(2)22(27)19-9-10-20(28-17-7-3-5-15(11-17)13-23)25-21(19)29-18-8-4-6-16(12-18)14-24/h3-12H,1-2H3
InChIKeyBHSSAMRMOWSDHP-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.11
Rot. Bonds5

About 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide

2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10596169) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide
PubChem CID10596169
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2cccc(C#N)c2)nc1Oc1cccc(C#N)c1
InChIInChI=1S/C22H16N4O3/c1-26(2)22(27)19-9-10-20(28-17-7-3-5-15(11-17)13-23)25-21(19)29-18-8-4-6-16(12-18)14-24/h3-12H,1-2H3
InChIKeyBHSSAMRMOWSDHP-UHFFFAOYSA-N
XLogP4.11
TPSA99.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid
CID 134204717
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide
CID 10993555
3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
CID 43262343
3-[[6-(3-cyanophenoxy)-5-[6-[2-[6-[6-(3-cyanophenoxy)-2-(3-isocyanophenoxy)-3-pyridinyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]benzonitrile
CID 59357336
3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
CID 23506220
3-[(4-amino-6-chloro-2-pyridinyl)oxy]benzonitrile
CID 114070670
3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide
CID 23441684
3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile
CID 43262342
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
O-(3-cyanophenyl) N,N-dimethylcarbamothioate
CID 14795402
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
CID 70081497
methyl 3-(3-cyanophenoxy)benzoate
CID 139818102

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide (CID 10596169) is 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(Oc2cccc(C#N)c2)nc1Oc1cccc(C#N)c1.
What is the InChIKey of 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is BHSSAMRMOWSDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-26(2)22(27)19-9-10-20(28-17-7-3-5-15(11-17)13-23)25-21(19)29-18-8-4-6-16(12-18)14-24/h3-12H,1-2H3.
What are the key properties of 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide?
2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10596169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).