1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol

C17H27N3O — CID 115940504

IUPAC1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC3C(CCCN3C)C2)cn1
InChIInChI=1S/C17H27N3O/c1-3-17(21)15-7-6-14(11-18-15)20-10-8-16-13(12-20)5-4-9-19(16)2/h6-7,11,13,16-17,21H,3-5,8-10,12H2,1-2H3
InChIKeyNHGINMBHNPBYJK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.45
Rot. Bonds3

About 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol

1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol (PubChem CID 115940504) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol
PubChem CID115940504
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC3C(CCCN3C)C2)cn1
InChIInChI=1S/C17H27N3O/c1-3-17(21)15-7-6-14(11-18-15)20-10-8-16-13(12-20)5-4-9-19(16)2/h6-7,11,13,16-17,21H,3-5,8-10,12H2,1-2H3
InChIKeyNHGINMBHNPBYJK-UHFFFAOYSA-N
XLogP2.45
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol with MolForge

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Related Compounds

(1S)-1-[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]propan-1-ol
CID 103938404
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940385
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
(1S)-1-[4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanol
CID 81199998
(1R)-1-[4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanol
CID 81199057
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
(1S)-1-[5-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 102959932
1-[4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 81198752

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol (CID 115940504) is 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N2CCC3C(CCCN3C)C2)cn1.
What is the InChIKey of 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is NHGINMBHNPBYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-17(21)15-7-6-14(11-18-15)20-10-8-16-13(12-20)5-4-9-19(16)2/h6-7,11,13,16-17,21H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol?
1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).