N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide

C17H24N4O3 — CID 139351325

IUPACN-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC(C)(C)N3)C1
InChIInChI=1S/C17H24N4O3/c1-11(22)20(4)13-5-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(2,3)10-24-14/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,19)/t13-/m0/s1
InChIKeyKMMJHQSFYAKPGA-ZDUSSCGKSA-N
MW332.40 g/mol
LogP1.36
Rot. Bonds2

About N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide

N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 139351325) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID139351325
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC(C)(C)N3)C1
InChIInChI=1S/C17H24N4O3/c1-11(22)20(4)13-5-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(2,3)10-24-14/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,19)/t13-/m0/s1
InChIKeyKMMJHQSFYAKPGA-ZDUSSCGKSA-N
XLogP1.36
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide (CID 139351325) is N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC(C)(C)N3)C1.
What is the InChIKey of N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is KMMJHQSFYAKPGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(22)20(4)13-5-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(2,3)10-24-14/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide?
N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 332.40 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 139351325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).