(3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone

C19H20N4O2 — CID 139351281

IUPAC(3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone
SMILESO=C(c1cnc2c(c1)OCC1(CC1)N2)N1CCC(c2ccncc2)C1
InChIInChI=1S/C19H20N4O2/c24-18(23-8-3-14(11-23)13-1-6-20-7-2-13)15-9-16-17(21-10-15)22-19(4-5-19)12-25-16/h1-2,6-7,9-10,14H,3-5,8,11-12H2,(H,21,22)
InChIKeyONBAXEUGLYQREV-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.44
Rot. Bonds2

About (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone

(3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone (PubChem CID 139351281) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone.

Molecular Properties

Compound Name(3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone
PubChem CID139351281
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name(3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone
SMILESO=C(c1cnc2c(c1)OCC1(CC1)N2)N1CCC(c2ccncc2)C1
InChIInChI=1S/C19H20N4O2/c24-18(23-8-3-14(11-23)13-1-6-20-7-2-13)15-9-16-17(21-10-15)22-19(4-5-19)12-25-16/h1-2,6-7,9-10,14H,3-5,8,11-12H2,(H,21,22)
InChIKeyONBAXEUGLYQREV-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone?
The IUPAC name of (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone (CID 139351281) is (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone.
What is the SMILES notation for (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone?
The canonical SMILES for (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone is O=C(c1cnc2c(c1)OCC1(CC1)N2)N1CCC(c2ccncc2)C1.
What is the InChIKey of (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone?
The InChIKey is ONBAXEUGLYQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(23-8-3-14(11-23)13-1-6-20-7-2-13)15-9-16-17(21-10-15)22-19(4-5-19)12-25-16/h1-2,6-7,9-10,14H,3-5,8,11-12H2,(H,21,22).
What are the key properties of (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone?
(3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone has a molecular weight of 336.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-ylpyrrolidin-1-yl)-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-ylmethanone is sourced from PubChem (CID 139351281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).