6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

C26H27N5O2 — CID 58094479

IUPAC6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1
InChIInChI=1S/C26H27N5O2/c1-31-13-10-18(11-14-31)17-3-6-21(7-4-17)29-25-24-19(9-12-27-26(24)32)15-22(30-25)20-5-8-23(33-2)28-16-20/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyQLBYQABHJURWPB-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.55
Rot. Bonds5

About 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one

6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094479) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58094479
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1
InChIInChI=1S/C26H27N5O2/c1-31-13-10-18(11-14-31)17-3-6-21(7-4-17)29-25-24-19(9-12-27-26(24)32)15-22(30-25)20-5-8-23(33-2)28-16-20/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyQLBYQABHJURWPB-UHFFFAOYSA-N
XLogP4.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one (CID 58094479) is 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is COc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is QLBYQABHJURWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-31-13-10-18(11-14-31)17-3-6-21(7-4-17)29-25-24-19(9-12-27-26(24)32)15-22(30-25)20-5-8-23(33-2)28-16-20/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3,(H,27,32)(H,29,30).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 441.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).