1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C50H66N10O6 — CID 157484691

IUPAC1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1OC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1OC
InChIInChI=1S/2C25H33N5O3/c2*1-4-18-15-26-20(13-24(18)33-3)16-27-19-7-9-29(10-8-19)11-12-30-23-14-21(32-2)17-28-22(23)5-6-25(30)31/h2*5-6,13-15,17,19,27H,4,7-12,16H2,1-3H3
InChIKeyBWOLQQCVVHHMJM-UHFFFAOYSA-N
MW903.14 g/mol
LogP5.25
Rot. Bonds18

About 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 157484691) has the molecular formula C50H66N10O6 and a molecular weight of 903.14 g/mol. Its IUPAC name is 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID157484691
Molecular FormulaC50H66N10O6
Molecular Weight903.14 g/mol
Exact Mass902.52
IUPAC Name1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1OC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1OC
InChIInChI=1S/2C25H33N5O3/c2*1-4-18-15-26-20(13-24(18)33-3)16-27-19-7-9-29(10-8-19)11-12-30-23-14-21(32-2)17-28-22(23)5-6-25(30)31/h2*5-6,13-15,17,19,27H,4,7-12,16H2,1-3H3
InChIKeyBWOLQQCVVHHMJM-UHFFFAOYSA-N
XLogP5.25
TPSA163.02 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.14
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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Related Compounds

1-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,6-naphthyridin-2-one
CID 56834578
5-[[[1-[2-(7-Methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644100
5-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644111
1-[2-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 91800611
1-[2-(4-Benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 127039739
1-[2-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 127040080
1-[1-[2-(7-Methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)thiourea
CID 118712947
1-Benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]thiourea
CID 118713209
1-[1-[2-(7-Methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 118713211
1-Benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118713212
1-[1-[2-(7-Methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 118713214
4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 127039726

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 157484691) is 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1OC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1OC.
What is the InChIKey of 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is BWOLQQCVVHHMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H33N5O3/c2*1-4-18-15-26-20(13-24(18)33-3)16-27-19-7-9-29(10-8-19)11-12-30-23-14-21(32-2)17-28-22(23)5-6-25(30)31/h2*5-6,13-15,17,19,27H,4,7-12,16H2,1-3H3.
What are the key properties of 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 903.14 g/mol, XLogP of 5.25, 18 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 157484691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).