6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide

C25H23N5O2 — CID 118715334

IUPAC6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C#N)cc1C
InChIInChI=1S/C25H23N5O2/c1-4-9-28-25(31)21-15-29-23(30-20-7-5-18(13-26)6-8-20)12-22(21)32-24-16(2)10-19(14-27)11-17(24)3/h5-8,10-12,15H,4,9H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyHUKJJDIFISFPGO-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.12
Rot. Bonds7

About 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide

6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide (PubChem CID 118715334) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide
PubChem CID118715334
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C#N)cc1C
InChIInChI=1S/C25H23N5O2/c1-4-9-28-25(31)21-15-29-23(30-20-7-5-18(13-26)6-8-20)12-22(21)32-24-16(2)10-19(14-27)11-17(24)3/h5-8,10-12,15H,4,9H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyHUKJJDIFISFPGO-UHFFFAOYSA-N
XLogP5.12
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide (CID 118715334) is 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C#N)cc1C.
What is the InChIKey of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide?
The InChIKey is HUKJJDIFISFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-4-9-28-25(31)21-15-29-23(30-20-7-5-18(13-26)6-8-20)12-22(21)32-24-16(2)10-19(14-27)11-17(24)3/h5-8,10-12,15H,4,9H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide?
6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 118715334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).