methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate

C20H20N4O4 — CID 127034002

IUPACmethyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1
InChIInChI=1S/C20H20N4O4/c1-28-19(26)14-8-5-10-16(21-14)23-20(27)22-13-7-4-6-12-17(13)15-9-2-3-11-24(15)18(12)25/h4-8,10,15H,2-3,9,11H2,1H3,(H2,21,22,23,27)
InChIKeyYDXQVABEPJBULM-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.19
Rot. Bonds3

About methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate

methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate (PubChem CID 127034002) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate
PubChem CID127034002
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Namemethyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1
InChIInChI=1S/C20H20N4O4/c1-28-19(26)14-8-5-10-16(21-14)23-20(27)22-13-7-4-6-12-17(13)15-9-2-3-11-24(15)18(12)25/h4-8,10,15H,2-3,9,11H2,1H3,(H2,21,22,23,27)
InChIKeyYDXQVABEPJBULM-UHFFFAOYSA-N
XLogP3.19
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate (CID 127034002) is methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1.
What is the InChIKey of methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate?
The InChIKey is YDXQVABEPJBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-28-19(26)14-8-5-10-16(21-14)23-20(27)22-13-7-4-6-12-17(13)15-9-2-3-11-24(15)18(12)25/h4-8,10,15H,2-3,9,11H2,1H3,(H2,21,22,23,27).
What are the key properties of methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate?
methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate is sourced from PubChem (CID 127034002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).