N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide

C18H24N4O4 — CID 166159274

IUPACN-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(=O)N3CCOC4CNCC43)c2)O1
InChIInChI=1S/C18H24N4O4/c1-11-2-3-15(26-11)17(23)21-12-4-5-20-13(8-12)18(24)22-6-7-25-16-10-19-9-14(16)22/h4-5,8,11,14-16,19H,2-3,6-7,9-10H2,1H3,(H,20,21,23)
InChIKeyDWAGDCAXRWMSJD-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.40
Rot. Bonds3

About N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide

N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 166159274) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID166159274
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(=O)N3CCOC4CNCC43)c2)O1
InChIInChI=1S/C18H24N4O4/c1-11-2-3-15(26-11)17(23)21-12-4-5-20-13(8-12)18(24)22-6-7-25-16-10-19-9-14(16)22/h4-5,8,11,14-16,19H,2-3,6-7,9-10H2,1H3,(H,20,21,23)
InChIKeyDWAGDCAXRWMSJD-UHFFFAOYSA-N
XLogP0.40
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide with MolForge

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Related Compounds

N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166159273
5-methyl-N-[2-(6-methyl-1,6-diazaspiro[3.3]heptane-1-carbonyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166159393
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249793
N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159304
N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358074
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
N-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166161060
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525
N-[2-[acetyl(methyl)amino]-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166160944
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97377550

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide (CID 166159274) is N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(C(=O)N3CCOC4CNCC43)c2)O1.
What is the InChIKey of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is DWAGDCAXRWMSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11-2-3-15(26-11)17(23)21-12-4-5-20-13(8-12)18(24)22-6-7-25-16-10-19-9-14(16)22/h4-5,8,11,14-16,19H,2-3,6-7,9-10H2,1H3,(H,20,21,23).
What are the key properties of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166159274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).