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

C40H54FN9O2 — CID 159261184

IUPAC1-[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
SMILESC.Cc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.Cc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(C)c(F)c4)CC3)c2c1
InChIInChI=1S/C23H28FN5O.C16H22N4O.CH4/c1-16-11-22-21(27-13-16)3-4-23(30)29(22)10-9-28-7-5-19(6-8-28)26-15-18-12-20(24)17(2)25-14-18;1-12-10-15-14(18-11-12)2-3-16(21)20(15)9-8-19-6-4-13(17)5-7-19;/h3-4,11-14,19,26H,5-10,15H2,1-2H3;2-3,10-11,13H,4-9,17H2,1H3;1H4
InChIKeyKWNJLYMWGOFMKA-UHFFFAOYSA-N
MW711.93 g/mol
LogP4.57
Rot. Bonds9

About 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

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 (PubChem CID 159261184) has the molecular formula C40H54FN9O2 and a molecular weight of 711.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159261184
Molecular FormulaC40H54FN9O2
Molecular Weight711.93 g/mol
Exact Mass711.44
IUPAC Name1-[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
SMILESC.Cc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.Cc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(C)c(F)c4)CC3)c2c1
InChIInChI=1S/C23H28FN5O.C16H22N4O.CH4/c1-16-11-22-21(27-13-16)3-4-23(30)29(22)10-9-28-7-5-19(6-8-28)26-15-18-12-20(24)17(2)25-14-18;1-12-10-15-14(18-11-12)2-3-16(21)20(15)9-8-19-6-4-13(17)5-7-19;/h3-4,11-14,19,26H,5-10,15H2,1-2H3;2-3,10-11,13H,4-9,17H2,1H3;1H4
InChIKeyKWNJLYMWGOFMKA-UHFFFAOYSA-N
XLogP4.57
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.93
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 159025223
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one
CID 159628286
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
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
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-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 68854843
5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one
CID 143834335
7-fluoro-1-[2-[(3S,4S)-4-[2-(5-fluoro-6-methyl-3-pyridinyl)ethyl]-3-hydroxypiperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 58579383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.Cc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(C)c(F)c4)CC3)c2c1.
What is the InChIKey of 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?
The InChIKey is KWNJLYMWGOFMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O.C16H22N4O.CH4/c1-16-11-22-21(27-13-16)3-4-23(30)29(22)10-9-28-7-5-19(6-8-28)26-15-18-12-20(24)17(2)25-14-18;1-12-10-15-14(18-11-12)2-3-16(21)20(15)9-8-19-6-4-13(17)5-7-19;/h3-4,11-14,19,26H,5-10,15H2,1-2H3;2-3,10-11,13H,4-9,17H2,1H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 711.93 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159261184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).