6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one

C25H29N5O3 — CID 159628286

IUPAC6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one
SMILESCc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc5c(c4)CC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H29N5O3/c1-17-2-3-22-23(10-17)30(24(32)15-27-22)9-8-29-6-4-20(5-7-29)26-13-18-11-19-12-21(31)16-33-25(19)28-14-18/h2-3,10-11,14-15,20,26H,4-9,12-13,16H2,1H3
InChIKeyNCKQPAIPYXYAHU-UHFFFAOYSA-N
MW447.54 g/mol
LogP1.86
Rot. Bonds6

About 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one

6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one (PubChem CID 159628286) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one
PubChem CID159628286
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one
SMILESCc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc5c(c4)CC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H29N5O3/c1-17-2-3-22-23(10-17)30(24(32)15-27-22)9-8-29-6-4-20(5-7-29)26-13-18-11-19-12-21(31)16-33-25(19)28-14-18/h2-3,10-11,14-15,20,26H,4-9,12-13,16H2,1H3
InChIKeyNCKQPAIPYXYAHU-UHFFFAOYSA-N
XLogP1.86
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one with MolForge

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Related Compounds

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-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
(E)-but-2-enedioic acid;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 68994859
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
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
CID 59398270
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 25030977
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-isocyanoquinoxalin-2-one
CID 59397978

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one?
The IUPAC name of 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) is 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one.
What is the SMILES notation for 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one?
The canonical SMILES for 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one is Cc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc5c(c4)CC(=O)CO5)CC3)c2c1.
What is the InChIKey of 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one?
The InChIKey is NCKQPAIPYXYAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-2-3-22-23(10-17)30(24(32)15-27-22)9-8-29-6-4-20(5-7-29)26-13-18-11-19-12-21(31)16-33-25(19)28-14-18/h2-3,10-11,14-15,20,26H,4-9,12-13,16H2,1H3.
What are the key properties of 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one?
6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one has a molecular weight of 447.54 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one is sourced from PubChem (CID 159628286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).