2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one

C28H32N4O3 — CID 159033154

IUPAC2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(Cc3ccc(C)cc3)CC4)CC2)cn1
InChIInChI=1S/C28H32N4O3/c1-19-4-6-21(7-5-19)18-32-15-12-25-24(28(32)33)16-20(2)27(30-25)31-13-10-22(11-14-31)35-23-8-9-26(34-3)29-17-23/h4-9,16-17,22H,10-15,18H2,1-3H3
InChIKeyJVDCAVDPLLBCLV-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.35
Rot. Bonds6

About 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one

2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 159033154) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID159033154
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(Cc3ccc(C)cc3)CC4)CC2)cn1
InChIInChI=1S/C28H32N4O3/c1-19-4-6-21(7-5-19)18-32-15-12-25-24(28(32)33)16-20(2)27(30-25)31-13-10-22(11-14-31)35-23-8-9-26(34-3)29-17-23/h4-9,16-17,22H,10-15,18H2,1-3H3
InChIKeyJVDCAVDPLLBCLV-UHFFFAOYSA-N
XLogP4.35
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277984
2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(2-hydroxyethyl)-3-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277754
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one
CID 129277501
2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
CID 135154666
2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277601
(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 129277951
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 135154722
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
CID 135154104
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 135154625
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one
CID 135154709
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 135154189
methanol;2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,4,6-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 145341676

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 159033154) is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(Cc3ccc(C)cc3)CC4)CC2)cn1.
What is the InChIKey of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is JVDCAVDPLLBCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-19-4-6-21(7-5-19)18-32-15-12-25-24(28(32)33)16-20(2)27(30-25)31-13-10-22(11-14-31)35-23-8-9-26(34-3)29-17-23/h4-9,16-17,22H,10-15,18H2,1-3H3.
What are the key properties of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 472.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 159033154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).