6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine

C22H30N4O — CID 11523488

IUPAC6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(N2CCc3nc(OCCCN4CCC[C@@H]4C)ccc3C2)cn1
InChIInChI=1S/C22H30N4O/c1-17-6-8-20(15-23-17)26-13-10-21-19(16-26)7-9-22(24-21)27-14-4-12-25-11-3-5-18(25)2/h6-9,15,18H,3-5,10-14,16H2,1-2H3/t18-/m0/s1
InChIKeyYIKHUEQGKFLXNZ-SFHVURJKSA-N
MW366.51 g/mol
LogP3.60
Rot. Bonds6

About 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine

6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 11523488) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID11523488
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(N2CCc3nc(OCCCN4CCC[C@@H]4C)ccc3C2)cn1
InChIInChI=1S/C22H30N4O/c1-17-6-8-20(15-23-17)26-13-10-21-19(16-26)7-9-22(24-21)27-14-4-12-25-11-3-5-18(25)2/h6-9,15,18H,3-5,10-14,16H2,1-2H3/t18-/m0/s1
InChIKeyYIKHUEQGKFLXNZ-SFHVURJKSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine (CID 11523488) is 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine is Cc1ccc(N2CCc3nc(OCCCN4CCC[C@@H]4C)ccc3C2)cn1.
What is the InChIKey of 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is YIKHUEQGKFLXNZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-6-8-20(15-23-17)26-13-10-21-19(16-26)7-9-22(24-21)27-14-4-12-25-11-3-5-18(25)2/h6-9,15,18H,3-5,10-14,16H2,1-2H3/t18-/m0/s1.
What are the key properties of 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine?
6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 366.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-3-pyridinyl)-2-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 11523488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).