7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C20H28N4O — CID 46982960

IUPAC7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1ncc2c(c1C#N)CCN(C[C@]1(O)CCCN3CCCC[C@@H]31)C2
InChIInChI=1S/C20H28N4O/c1-15-18(11-21)17-6-10-23(13-16(17)12-22-15)14-20(25)7-4-9-24-8-3-2-5-19(20)24/h12,19,25H,2-10,13-14H2,1H3/t19-,20-/m1/s1
InChIKeyXVTJMGFEWYTZIR-WOJBJXKFSA-N
MW340.47 g/mol
LogP2.00
Rot. Bonds2

About 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 46982960) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID46982960
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1ncc2c(c1C#N)CCN(C[C@]1(O)CCCN3CCCC[C@@H]31)C2
InChIInChI=1S/C20H28N4O/c1-15-18(11-21)17-6-10-23(13-16(17)12-22-15)14-20(25)7-4-9-24-8-3-2-5-19(20)24/h12,19,25H,2-10,13-14H2,1H3/t19-,20-/m1/s1
InChIKeyXVTJMGFEWYTZIR-WOJBJXKFSA-N
XLogP2.00
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 46982960) is 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is Cc1ncc2c(c1C#N)CCN(C[C@]1(O)CCCN3CCCC[C@@H]31)C2.
What is the InChIKey of 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is XVTJMGFEWYTZIR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-18(11-21)17-6-10-23(13-16(17)12-22-15)14-20(25)7-4-9-24-8-3-2-5-19(20)24/h12,19,25H,2-10,13-14H2,1H3/t19-,20-/m1/s1.
What are the key properties of 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 340.47 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1R,9aR)-1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 46982960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).