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

C17H15N3O3 — CID 134795096

IUPAC1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C2(CCN(C(=O)c3cccnc3)C2)O1
InChIInChI=1S/C17H15N3O3/c21-15(12-4-3-8-18-10-12)20-9-7-17(11-20)13-5-1-2-6-14(13)19-16(22)23-17/h1-6,8,10H,7,9,11H2,(H,19,22)
InChIKeyRRMWZDJASIFRPS-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.39
Rot. Bonds1

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

1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one (PubChem CID 134795096) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one
PubChem CID134795096
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C2(CCN(C(=O)c3cccnc3)C2)O1
InChIInChI=1S/C17H15N3O3/c21-15(12-4-3-8-18-10-12)20-9-7-17(11-20)13-5-1-2-6-14(13)19-16(22)23-17/h1-6,8,10H,7,9,11H2,(H,19,22)
InChIKeyRRMWZDJASIFRPS-UHFFFAOYSA-N
XLogP2.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-morpholin-4-yl-5-(3-pyridylcarbonylamino)benzoate
CID 3162289
Methyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate
CID 3163529
1-acetyl-2-(pyridin-3-yl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
CID 3244510
1'-(2-fluorobenzoyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134795342
Methyl 2-(pyridine-3-carbonylamino)benzoate
CID 40077
methyl 4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylate
CID 3136938
1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134791952
1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134793069
1'-(Pyridine-3-carbonyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one
CID 134795257
methyl 5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
CID 10200204
6-Fluoro-1-(pyridin-4-ylmethyl)-3,1-benzoxazine-2,4-dione
CID 57530039
methyl 9-fluoro-5-oxo-6H-benzo[c][2,7]naphthyridine-7-carboxylate
CID 57877078

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one (CID 134795096) is 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2C2(CCN(C(=O)c3cccnc3)C2)O1.
What is the InChIKey of 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one?
The InChIKey is RRMWZDJASIFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15(12-4-3-8-18-10-12)20-9-7-17(11-20)13-5-1-2-6-14(13)19-16(22)23-17/h1-6,8,10H,7,9,11H2,(H,19,22).
What are the key properties of 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one?
1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one has a molecular weight of 309.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134795096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).