2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide

C22H16F3N5O — CID 11604219

IUPAC2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide
SMILESCC1=C(C#N)C(c2ccc(C#N)cc2)C(C(N)=O)=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N5O/c1-12-17(11-27)18(14-7-5-13(10-26)6-8-14)19(21(29)31)20(28)30(12)16-4-2-3-15(9-16)22(23,24)25/h2-9,18H,28H2,1H3,(H2,29,31)
InChIKeyLIKDOYZJSIWYFM-UHFFFAOYSA-N
MW423.40 g/mol
LogP3.63
Rot. Bonds3

About 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide

2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide (PubChem CID 11604219) has the molecular formula C22H16F3N5O and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide
PubChem CID11604219
Molecular FormulaC22H16F3N5O
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide
SMILESCC1=C(C#N)C(c2ccc(C#N)cc2)C(C(N)=O)=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N5O/c1-12-17(11-27)18(14-7-5-13(10-26)6-8-14)19(21(29)31)20(28)30(12)16-4-2-3-15(9-16)22(23,24)25/h2-9,18H,28H2,1H3,(H2,29,31)
InChIKeyLIKDOYZJSIWYFM-UHFFFAOYSA-N
XLogP3.63
TPSA119.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide (CID 11604219) is 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide is CC1=C(C#N)C(c2ccc(C#N)cc2)C(C(N)=O)=C(N)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
The InChIKey is LIKDOYZJSIWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O/c1-12-17(11-27)18(14-7-5-13(10-26)6-8-14)19(21(29)31)20(28)30(12)16-4-2-3-15(9-16)22(23,24)25/h2-9,18H,28H2,1H3,(H2,29,31).
What are the key properties of 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide?
2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxamide is sourced from PubChem (CID 11604219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).