5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one

C26H30N4O4 — CID 91801278

IUPAC5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(NCC3CCC(=O)NC3)n2)ccc1OC1CCOCC1
InChIInChI=1S/C26H30N4O4/c1-32-24-13-18(5-6-23(24)34-19-8-11-33-12-9-19)21-14-22-20(3-2-10-27-22)26(30-21)29-16-17-4-7-25(31)28-15-17/h2-3,5-6,10,13-14,17,19H,4,7-9,11-12,15-16H2,1H3,(H,28,31)(H,29,30)
InChIKeyNPHIYYBCUATPOF-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.80
Rot. Bonds7

About 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one

5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one (PubChem CID 91801278) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one
PubChem CID91801278
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(NCC3CCC(=O)NC3)n2)ccc1OC1CCOCC1
InChIInChI=1S/C26H30N4O4/c1-32-24-13-18(5-6-23(24)34-19-8-11-33-12-9-19)21-14-22-20(3-2-10-27-22)26(30-21)29-16-17-4-7-25(31)28-15-17/h2-3,5-6,10,13-14,17,19H,4,7-9,11-12,15-16H2,1H3,(H,28,31)(H,29,30)
InChIKeyNPHIYYBCUATPOF-UHFFFAOYSA-N
XLogP3.80
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one?
The IUPAC name of 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one (CID 91801278) is 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one?
The canonical SMILES for 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one is COc1cc(-c2cc3ncccc3c(NCC3CCC(=O)NC3)n2)ccc1OC1CCOCC1.
What is the InChIKey of 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one?
The InChIKey is NPHIYYBCUATPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-32-24-13-18(5-6-23(24)34-19-8-11-33-12-9-19)21-14-22-20(3-2-10-27-22)26(30-21)29-16-17-4-7-25(31)28-15-17/h2-3,5-6,10,13-14,17,19H,4,7-9,11-12,15-16H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one?
5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one has a molecular weight of 462.55 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 91801278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).