(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone

C15H27N3O — CID 81200158

IUPAC(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCN1CCCC2CN(C(=O)C3(C)CCNC3)CCC21
InChIInChI=1S/C15H27N3O/c1-15(6-7-16-11-15)14(19)18-9-5-13-12(10-18)4-3-8-17(13)2/h12-13,16H,3-11H2,1-2H3
InChIKeyIRNUDDOXGQTHKH-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.93
Rot. Bonds1

About (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone

(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 81200158) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID81200158
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCN1CCCC2CN(C(=O)C3(C)CCNC3)CCC21
InChIInChI=1S/C15H27N3O/c1-15(6-7-16-11-15)14(19)18-9-5-13-12(10-18)4-3-8-17(13)2/h12-13,16H,3-11H2,1-2H3
InChIKeyIRNUDDOXGQTHKH-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone with MolForge

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Related Compounds

(3-ethylpiperidin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199172
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)cyclopentane-1-carbonitrile
CID 81199752
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)cyclopentane-1-carbothioamide
CID 81199759
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
[1-(aminomethyl)cyclobutyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81196992
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501
(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858272
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119781751

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 81200158) is (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone is CN1CCCC2CN(C(=O)C3(C)CCNC3)CCC21.
What is the InChIKey of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is IRNUDDOXGQTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(6-7-16-11-15)14(19)18-9-5-13-12(10-18)4-3-8-17(13)2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone?
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 81200158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).