2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide

C20H20F3N3O3 — CID 175967836

IUPAC2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCCc1c(C(F)(F)F)cnc(Oc2ccc(C#N)cc2OC)c1C(N)=O
InChIInChI=1S/C20H20F3N3O3/c1-3-4-5-6-13-14(20(21,22)23)11-26-19(17(13)18(25)27)29-15-8-7-12(10-24)9-16(15)28-2/h7-9,11H,3-6H2,1-2H3,(H2,25,27)
InChIKeyHXBUTZIVADYFSC-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.60
Rot. Bonds8

About 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide

2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175967836) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175967836
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCCc1c(C(F)(F)F)cnc(Oc2ccc(C#N)cc2OC)c1C(N)=O
InChIInChI=1S/C20H20F3N3O3/c1-3-4-5-6-13-14(20(21,22)23)11-26-19(17(13)18(25)27)29-15-8-7-12(10-24)9-16(15)28-2/h7-9,11H,3-6H2,1-2H3,(H2,25,27)
InChIKeyHXBUTZIVADYFSC-UHFFFAOYSA-N
XLogP4.60
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860
3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197611
5-amino-6-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxamide
CID 114408412
ethane;methyl 2-(4-cyano-2-methoxyphenoxy)-4-methyl-5-nitropyridine-3-carboxylate
CID 171071803
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
3-methoxy-4-(2-oxopentoxy)benzonitrile
CID 62042091
4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 21463678
3-(4-cyano-2-methoxyphenoxy)-6-(4-cyanophenyl)-5-methylpyridazine-4-carboxylic acid
CID 167198596
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide
CID 61313483
4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 141062160

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 175967836) is 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide is CCCCCc1c(C(F)(F)F)cnc(Oc2ccc(C#N)cc2OC)c1C(N)=O.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HXBUTZIVADYFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-3-4-5-6-13-14(20(21,22)23)11-26-19(17(13)18(25)27)29-15-8-7-12(10-24)9-16(15)28-2/h7-9,11H,3-6H2,1-2H3,(H2,25,27).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-4-pentyl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175967836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).