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

C51H70N10O4 — CID 160975036

IUPACbis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane
SMILESC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)cc1OC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)cc1OC
InChIInChI=1S/2C25H33N5O2.CH4/c2*1-4-19-16-26-21(14-24(19)32-3)17-27-20-7-9-29(10-8-20)11-12-30-23-13-18(2)15-28-22(23)5-6-25(30)31;/h2*5-6,13-16,20,27H,4,7-12,17H2,1-3H3;1H4
InChIKeySYTCCSJZDRMCRX-UHFFFAOYSA-N
MW887.19 g/mol
LogP6.49
Rot. Bonds16

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

bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane (PubChem CID 160975036) has the molecular formula C51H70N10O4 and a molecular weight of 887.19 g/mol. Its IUPAC name is bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane.

Molecular Properties

Compound Namebis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane
PubChem CID160975036
Molecular FormulaC51H70N10O4
Molecular Weight887.19 g/mol
Exact Mass886.56
IUPAC Namebis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane
SMILESC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)cc1OC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)cc1OC
InChIInChI=1S/2C25H33N5O2.CH4/c2*1-4-19-16-26-21(14-24(19)32-3)17-27-20-7-9-29(10-8-20)11-12-30-23-13-18(2)15-28-22(23)5-6-25(30)31;/h2*5-6,13-16,20,27H,4,7-12,17H2,1-3H3;1H4
InChIKeySYTCCSJZDRMCRX-UHFFFAOYSA-N
XLogP6.49
TPSA144.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500887.19
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68854977
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one;methane
CID 159261184
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
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
2-fluoro-5-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 68735240
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 68854843

Frequently Asked Questions

What is the IUPAC name of bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane?
The IUPAC name of bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane (CID 160975036) is bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane.
What is the SMILES notation for bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane?
The canonical SMILES for bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane is C.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)cc1OC.CCc1cnc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)cc1OC.
What is the InChIKey of bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane?
The InChIKey is SYTCCSJZDRMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H33N5O2.CH4/c2*1-4-19-16-26-21(14-24(19)32-3)17-27-20-7-9-29(10-8-20)11-12-30-23-13-18(2)15-28-22(23)5-6-25(30)31;/h2*5-6,13-16,20,27H,4,7-12,17H2,1-3H3;1H4.
What are the key properties of bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane?
bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane has a molecular weight of 887.19 g/mol, XLogP of 6.49, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane is sourced from PubChem (CID 160975036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).