N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide

C16H22N4O3 — CID 139351314

IUPACN-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OC[C@@H](C)N3)C1
InChIInChI=1S/C16H22N4O3/c1-10-9-23-14-6-12(7-17-15(14)18-10)16(22)20-5-4-13(8-20)19(3)11(2)21/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1
InChIKeyHTTHMSWJRRLTDC-MFKMUULPSA-N
MW318.38 g/mol
LogP0.97
Rot. Bonds2

About N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide

N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 139351314) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID139351314
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OC[C@@H](C)N3)C1
InChIInChI=1S/C16H22N4O3/c1-10-9-23-14-6-12(7-17-15(14)18-10)16(22)20-5-4-13(8-20)19(3)11(2)21/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1
InChIKeyHTTHMSWJRRLTDC-MFKMUULPSA-N
XLogP0.97
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.97
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-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide (CID 139351314) is N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OC[C@@H](C)N3)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HTTHMSWJRRLTDC-MFKMUULPSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-9-23-14-6-12(7-17-15(14)18-10)16(22)20-5-4-13(8-20)19(3)11(2)21/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1.
What are the key properties of N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
N-methyl-N-[(3S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.97, 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-[(3R)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 139351314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).