3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C20H17F3N4O2 — CID 177283417

IUPAC3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2cccc(C(F)(F)F)n2)nc(C(N)=O)c1N
InChIInChI=1S/C20H17F3N4O2/c1-9-6-7-14(28)10(2)16(9)11-8-13(27-18(17(11)24)19(25)29)12-4-3-5-15(26-12)20(21,22)23/h3-8,28H,24H2,1-2H3,(H2,25,29)
InChIKeyUVYIMXZPNQAHJW-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.83
Rot. Bonds3

About 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 177283417) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID177283417
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2cccc(C(F)(F)F)n2)nc(C(N)=O)c1N
InChIInChI=1S/C20H17F3N4O2/c1-9-6-7-14(28)10(2)16(9)11-8-13(27-18(17(11)24)19(25)29)12-4-3-5-15(26-12)20(21,22)23/h3-8,28H,24H2,1-2H3,(H2,25,29)
InChIKeyUVYIMXZPNQAHJW-UHFFFAOYSA-N
XLogP3.83
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 177283417) is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is Cc1ccc(O)c(C)c1-c1cc(-c2cccc(C(F)(F)F)n2)nc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is UVYIMXZPNQAHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-9-6-7-14(28)10(2)16(9)11-8-13(27-18(17(11)24)19(25)29)12-4-3-5-15(26-12)20(21,22)23/h3-8,28H,24H2,1-2H3,(H2,25,29).
What are the key properties of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 402.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 177283417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).