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

C19H24N4O4 — CID 139351331

IUPACN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]oxetane-3-carboxamide
SMILESCN(C(=O)C1COC1)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1
InChIInChI=1S/C19H24N4O4/c1-22(17(24)13-9-26-10-13)14-2-5-23(8-14)18(25)12-6-15-16(20-7-12)21-19(3-4-19)11-27-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyHFALPAFYQXOAHV-AWEZNQCLSA-N
MW372.43 g/mol
LogP0.74
Rot. Bonds3

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

N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]oxetane-3-carboxamide (PubChem CID 139351331) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 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]oxetane-3-carboxamide.

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]oxetane-3-carboxamide
PubChem CID139351331
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]oxetane-3-carboxamide
SMILESCN(C(=O)C1COC1)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1
InChIInChI=1S/C19H24N4O4/c1-22(17(24)13-9-26-10-13)14-2-5-23(8-14)18(25)12-6-15-16(20-7-12)21-19(3-4-19)11-27-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyHFALPAFYQXOAHV-AWEZNQCLSA-N
XLogP0.74
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]oxetane-3-carboxamide?
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]oxetane-3-carboxamide (CID 139351331) is N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]oxetane-3-carboxamide.
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]oxetane-3-carboxamide?
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]oxetane-3-carboxamide is CN(C(=O)C1COC1)[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]oxetane-3-carboxamide?
The InChIKey is HFALPAFYQXOAHV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-22(17(24)13-9-26-10-13)14-2-5-23(8-14)18(25)12-6-15-16(20-7-12)21-19(3-4-19)11-27-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,21)/t14-/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]oxetane-3-carboxamide?
N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]oxetane-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]oxetane-3-carboxamide is sourced from PubChem (CID 139351331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).