4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide

C20H20N6O3 — CID 166887531

IUPAC4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide
SMILES[H]/N=c1\cc(N2CCOc3cc(C(=O)N4CC5C6C5C64)cnc32)ccn1C(=O)NC
InChIInChI=1S/C20H20N6O3/c1-22-20(28)25-3-2-11(7-14(25)21)24-4-5-29-13-6-10(8-23-18(13)24)19(27)26-9-12-15-16(12)17(15)26/h2-3,6-8,12,15-17,21H,4-5,9H2,1H3,(H,22,28)/b21-14+
InChIKeyVEUSPFONINLHDS-KGENOOAVSA-N
MW392.42 g/mol
LogP0.78
Rot. Bonds2

About 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide

4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide (PubChem CID 166887531) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide.

Molecular Properties

Compound Name4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide
PubChem CID166887531
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide
SMILES[H]/N=c1\cc(N2CCOc3cc(C(=O)N4CC5C6C5C64)cnc32)ccn1C(=O)NC
InChIInChI=1S/C20H20N6O3/c1-22-20(28)25-3-2-11(7-14(25)21)24-4-5-29-13-6-10(8-23-18(13)24)19(27)26-9-12-15-16(12)17(15)26/h2-3,6-8,12,15-17,21H,4-5,9H2,1H3,(H,22,28)/b21-14+
InChIKeyVEUSPFONINLHDS-KGENOOAVSA-N
XLogP0.78
TPSA103.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide?
The IUPAC name of 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide (CID 166887531) is 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide.
What is the SMILES notation for 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide?
The canonical SMILES for 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide is [H]/N=c1\cc(N2CCOc3cc(C(=O)N4CC5C6C5C64)cnc32)ccn1C(=O)NC.
What is the InChIKey of 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide?
The InChIKey is VEUSPFONINLHDS-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-22-20(28)25-3-2-11(7-14(25)21)24-4-5-29-13-6-10(8-23-18(13)24)19(27)26-9-12-15-16(12)17(15)26/h2-3,6-8,12,15-17,21H,4-5,9H2,1H3,(H,22,28)/b21-14+.
What are the key properties of 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide?
4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-azatricyclo[3.1.0.02,6]hexane-3-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-imino-N-methylpyridine-1-carboxamide is sourced from PubChem (CID 166887531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).