N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide

C17H22N4O3 — CID 139351280

IUPACN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1
InChIInChI=1S/C17H22N4O3/c1-11(22)20(2)13-3-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(4-5-17)10-24-14/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyWNZBDKFWNBLSNE-ZDUSSCGKSA-N
MW330.39 g/mol
LogP1.11
Rot. Bonds2

About N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide

N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 139351280) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID139351280
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1
InChIInChI=1S/C17H22N4O3/c1-11(22)20(2)13-3-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(4-5-17)10-24-14/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyWNZBDKFWNBLSNE-ZDUSSCGKSA-N
XLogP1.11
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide (CID 139351280) is N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is WNZBDKFWNBLSNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(22)20(2)13-3-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(4-5-17)10-24-14/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide?
N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 139351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).