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

C17H25N3O2 — CID 133420753

IUPACmethyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3C(CCCN3C)C2)nc1C
InChIInChI=1S/C17H25N3O2/c1-12-14(17(21)22-3)6-7-16(18-12)20-10-8-15-13(11-20)5-4-9-19(15)2/h6-7,13,15H,4-5,8-11H2,1-3H3
InChIKeyRVPJUDJSJNEEOT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.10
Rot. Bonds2

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

methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate (PubChem CID 133420753) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
PubChem CID133420753
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namemethyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3C(CCCN3C)C2)nc1C
InChIInChI=1S/C17H25N3O2/c1-12-14(17(21)22-3)6-7-16(18-12)20-10-8-15-13(11-20)5-4-9-19(15)2/h6-7,13,15H,4-5,8-11H2,1-3H3
InChIKeyRVPJUDJSJNEEOT-UHFFFAOYSA-N
XLogP2.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 6-(1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133420760
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133421229
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 100685192
methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133419030
6-(6-chloropyridazin-3-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199920
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
6-[5-chloro-6-(chloromethyl)-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199801

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate (CID 133420753) is methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCC3C(CCCN3C)C2)nc1C.
What is the InChIKey of methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate?
The InChIKey is RVPJUDJSJNEEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-14(17(21)22-3)6-7-16(18-12)20-10-8-15-13(11-20)5-4-9-19(15)2/h6-7,13,15H,4-5,8-11H2,1-3H3.
What are the key properties of methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate?
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133420753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).