1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide

C18H16F3N5O4 — CID 155595105

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1cnn(C)c1-n1cccc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1=O
InChIInChI=1S/C18H16F3N5O4/c1-25-16(13(29-2)9-23-25)26-7-3-4-12(17(26)28)15(27)24-11-5-6-14(22-8-11)30-10-18(19,20)21/h3-9H,10H2,1-2H3,(H,24,27)
InChIKeyVBDIPQSLOVYAHK-UHFFFAOYSA-N
MW423.35 g/mol
LogP2.17
Rot. Bonds6

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide

1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 155595105) has the molecular formula C18H16F3N5O4 and a molecular weight of 423.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID155595105
Molecular FormulaC18H16F3N5O4
Molecular Weight423.35 g/mol
Exact Mass423.12
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1cnn(C)c1-n1cccc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1=O
InChIInChI=1S/C18H16F3N5O4/c1-25-16(13(29-2)9-23-25)26-7-3-4-12(17(26)28)15(27)24-11-5-6-14(22-8-11)30-10-18(19,20)21/h3-9H,10H2,1-2H3,(H,24,27)
InChIKeyVBDIPQSLOVYAHK-UHFFFAOYSA-N
XLogP2.17
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 155595105) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide is COc1cnn(C)c1-n1cccc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1=O.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is VBDIPQSLOVYAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O4/c1-25-16(13(29-2)9-23-25)26-7-3-4-12(17(26)28)15(27)24-11-5-6-14(22-8-11)30-10-18(19,20)21/h3-9H,10H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 423.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 155595105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).