1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

C16H14N4O3 — CID 134793069

IUPAC1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1Nc2cnccc2C2(CCN(C(=O)c3cccnc3)C2)O1
InChIInChI=1S/C16H14N4O3/c21-14(11-2-1-5-17-8-11)20-7-4-16(10-20)12-3-6-18-9-13(12)19-15(22)23-16/h1-3,5-6,8-9H,4,7,10H2,(H,19,22)
InChIKeyHUTLBOYIAQCQSD-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.78
Rot. Bonds1

About 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (PubChem CID 134793069) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
PubChem CID134793069
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1Nc2cnccc2C2(CCN(C(=O)c3cccnc3)C2)O1
InChIInChI=1S/C16H14N4O3/c21-14(11-2-1-5-17-8-11)20-7-4-16(10-20)12-3-6-18-9-13(12)19-15(22)23-16/h1-3,5-6,8-9H,4,7,10H2,(H,19,22)
InChIKeyHUTLBOYIAQCQSD-UHFFFAOYSA-N
XLogP1.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one with MolForge

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Related Compounds

1'-(2-fluorobenzoyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134795342
1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134791952
Sdccgsbi-0662537.P001
CID 134792315
1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one
CID 134795096
2-(Pyridine-4-carbonylamino)ethyl 2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxylate
CID 52708799
methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112524083
ethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112524084
Methyl 5-[[2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]pyridine-3-carboxylate
CID 166330481

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (CID 134793069) is 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is O=C1Nc2cnccc2C2(CCN(C(=O)c3cccnc3)C2)O1.
What is the InChIKey of 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The InChIKey is HUTLBOYIAQCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14(11-2-1-5-17-8-11)20-7-4-16(10-20)12-3-6-18-9-13(12)19-15(22)23-16/h1-3,5-6,8-9H,4,7,10H2,(H,19,22).
What are the key properties of 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one has a molecular weight of 310.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134793069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).