6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide

C17H17N3O3 — CID 166386842

IUPAC6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cc2c(cn1)OCCO2)c1cccc(C2CC2)n1
InChIInChI=1S/C17H17N3O3/c21-17(14-3-1-2-13(20-14)11-4-5-11)19-9-12-8-15-16(10-18-12)23-7-6-22-15/h1-3,8,10-11H,4-7,9H2,(H,19,21)
InChIKeyHUYOSEWSVUCTIJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.06
Rot. Bonds4

About 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide

6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide (PubChem CID 166386842) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide
PubChem CID166386842
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cc2c(cn1)OCCO2)c1cccc(C2CC2)n1
InChIInChI=1S/C17H17N3O3/c21-17(14-3-1-2-13(20-14)11-4-5-11)19-9-12-8-15-16(10-18-12)23-7-6-22-15/h1-3,8,10-11H,4-7,9H2,(H,19,21)
InChIKeyHUYOSEWSVUCTIJ-UHFFFAOYSA-N
XLogP2.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide (CID 166386842) is 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cc2c(cn1)OCCO2)c1cccc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HUYOSEWSVUCTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(14-3-1-2-13(20-14)11-4-5-11)19-9-12-8-15-16(10-18-12)23-7-6-22-15/h1-3,8,10-11H,4-7,9H2,(H,19,21).
What are the key properties of 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide?
6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166386842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).