5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide

C16H18FN3O4 — CID 146144778

IUPAC5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2ncc(OCC3CC3)cc2F)C1=O
InChIInChI=1S/C16H18FN3O4/c1-20-13(21)5-4-12(16(20)23)19-15(22)14-11(17)6-10(7-18-14)24-8-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,19,22)
InChIKeyDOZGZQNJDYZBEM-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.89
Rot. Bonds5

About 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide

5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide (PubChem CID 146144778) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide
PubChem CID146144778
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2ncc(OCC3CC3)cc2F)C1=O
InChIInChI=1S/C16H18FN3O4/c1-20-13(21)5-4-12(16(20)23)19-15(22)14-11(17)6-10(7-18-14)24-8-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,19,22)
InChIKeyDOZGZQNJDYZBEM-UHFFFAOYSA-N
XLogP0.89
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide (CID 146144778) is 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide is CN1C(=O)CCC(NC(=O)c2ncc(OCC3CC3)cc2F)C1=O.
What is the InChIKey of 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?
The InChIKey is DOZGZQNJDYZBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-20-13(21)5-4-12(16(20)23)19-15(22)14-11(17)6-10(7-18-14)24-8-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,19,22).
What are the key properties of 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?
5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-3-fluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146144778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).