N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C19H13ClF3N3O2 — CID 58614938

IUPACN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1
InChIInChI=1S/C19H13ClF3N3O2/c1-10-13(4-7-17(25-10)19(21,22)23)18(28)26-11-2-5-15(20)14(8-11)16-6-3-12(27)9-24-16/h2-9,27H,1H3,(H,26,28)
InChIKeyPTYVYBKEXQMGCX-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.08
Rot. Bonds3

About N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58614938) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58614938
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC NameN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1
InChIInChI=1S/C19H13ClF3N3O2/c1-10-13(4-7-17(25-10)19(21,22)23)18(28)26-11-2-5-15(20)14(8-11)16-6-3-12(27)9-24-16/h2-9,27H,1H3,(H,26,28)
InChIKeyPTYVYBKEXQMGCX-UHFFFAOYSA-N
XLogP5.08
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 58614938) is N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.
What is the InChIKey of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PTYVYBKEXQMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c1-10-13(4-7-17(25-10)19(21,22)23)18(28)26-11-2-5-15(20)14(8-11)16-6-3-12(27)9-24-16/h2-9,27H,1H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 407.78 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58614938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).