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

C17H30N4O — CID 175339553

IUPACbis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
SMILESO=C(N1CCCC2NCCCC21)N1CCCC2NCCCC21
InChIInChI=1S/C17H30N4O/c22-17(20-11-3-5-13-15(20)7-1-9-18-13)21-12-4-6-14-16(21)8-2-10-19-14/h13-16,18-19H,1-12H2
InChIKeyLMXJCFNFOWUSNW-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.54
Rot. Bonds

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

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone (PubChem CID 175339553) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone.

Molecular Properties

Compound Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
PubChem CID175339553
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Namebis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
SMILESO=C(N1CCCC2NCCCC21)N1CCCC2NCCCC21
InChIInChI=1S/C17H30N4O/c22-17(20-11-3-5-13-15(20)7-1-9-18-13)21-12-4-6-14-16(21)8-2-10-19-14/h13-16,18-19H,1-12H2
InChIKeyLMXJCFNFOWUSNW-UHFFFAOYSA-N
XLogP1.54
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79154748
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CID 63256843
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62274755
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216007
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274583
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 63653304
(2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 79758887

Frequently Asked Questions

What is the IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone?
The IUPAC name of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone (CID 175339553) is bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone.
What is the SMILES notation for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone?
The canonical SMILES for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone is O=C(N1CCCC2NCCCC21)N1CCCC2NCCCC21.
What is the InChIKey of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone?
The InChIKey is LMXJCFNFOWUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c22-17(20-11-3-5-13-15(20)7-1-9-18-13)21-12-4-6-14-16(21)8-2-10-19-14/h13-16,18-19H,1-12H2.
What are the key properties of bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone?
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone has a molecular weight of 306.45 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone is sourced from PubChem (CID 175339553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).