N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H13ClF3N3O2 — CID 155464856

IUPACN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccncc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13ClF3N3O2/c20-13-3-1-11(2-4-13)16(12-7-9-24-10-8-12)26-18(28)14-5-6-15(19(21,22)23)25-17(14)27/h1-10,16H,(H,25,27)(H,26,28)
InChIKeyRORPUTTZPUNLNC-UHFFFAOYSA-N
MW407.78 g/mol
LogP3.96
Rot. Bonds4

About N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464856) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464856
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC NameN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccncc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13ClF3N3O2/c20-13-3-1-11(2-4-13)16(12-7-9-24-10-8-12)26-18(28)14-5-6-15(19(21,22)23)25-17(14)27/h1-10,16H,(H,25,27)(H,26,28)
InChIKeyRORPUTTZPUNLNC-UHFFFAOYSA-N
XLogP3.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464856) is N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccncc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RORPUTTZPUNLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c20-13-3-1-11(2-4-13)16(12-7-9-24-10-8-12)26-18(28)14-5-6-15(19(21,22)23)25-17(14)27/h1-10,16H,(H,25,27)(H,26,28).
What are the key properties of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 407.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).