1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C25H32N6O2 — CID 158072554

IUPAC1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12
InChIInChI=1S/C13H17N3O.C12H15N3O/c1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(12)16/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyFLZKWFDEHOIPEE-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.38
Rot. Bonds

About 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 158072554) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID158072554
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12
InChIInChI=1S/C13H17N3O.C12H15N3O/c1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(12)16/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyFLZKWFDEHOIPEE-UHFFFAOYSA-N
XLogP2.38
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one with MolForge

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Related Compounds

2,2-dimethyl-N-[(E)-3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]-N-[(1R)-1-phenylethyl]propanamide
CID 72945338
3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one
CID 54758295
ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 56952778
1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one
CID 62705175
2,2-dimethyl-N-[3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]propyl]-N-[(1R)-1-phenylethyl]propanamide
CID 72945915
6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305420
6-[5-(2-amino-2-oxoethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117666945
6-(5-Dimethylcarbamoylmethyl-pyridin-3-yl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 117666991
6-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667173
6-[5-(5-oxopyrrolidin-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667176
6-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667797
6-[5-(1,1-Dimethyl-2-morpholin-4-yl-2-oxo-ethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 117667808

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 158072554) is 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is CN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12.
What is the InChIKey of 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is FLZKWFDEHOIPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.C12H15N3O/c1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(12)16/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16).
What are the key properties of 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 448.57 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 158072554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).