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

C48H62N10O2 — CID 158069396

IUPAC1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)nc1.CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)nc1
InChIInChI=1S/2C24H31N5O/c2*1-3-19-4-5-21(25-16-19)17-26-20-8-10-28(11-9-20)12-13-29-23-14-18(2)15-27-22(23)6-7-24(29)30/h2*4-7,14-16,20,26H,3,8-13,17H2,1-2H3
InChIKeyFLQHEMIQUZVIAK-UHFFFAOYSA-N
MW811.09 g/mol
LogP5.83
Rot. Bonds14

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

1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one (PubChem CID 158069396) has the molecular formula C48H62N10O2 and a molecular weight of 811.09 g/mol. Its IUPAC name is 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
PubChem CID158069396
Molecular FormulaC48H62N10O2
Molecular Weight811.09 g/mol
Exact Mass810.51
IUPAC Name1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)nc1.CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)nc1
InChIInChI=1S/2C24H31N5O/c2*1-3-19-4-5-21(25-16-19)17-26-20-8-10-28(11-9-20)12-13-29-23-14-18(2)15-27-22(23)6-7-24(29)30/h2*4-7,14-16,20,26H,3,8-13,17H2,1-2H3
InChIKeyFLQHEMIQUZVIAK-UHFFFAOYSA-N
XLogP5.83
TPSA126.10 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one with MolForge

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Related Compounds

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CID 6436051
(2S)-2-amino-N-[(2S)-1-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 155543897
2-amino-N-[2-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 155546976
(2R)-2-amino-N-[(2R)-1-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 155565158
7-Fluoro-1-[2-[4-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194469
N-[(6-fluoro-3-pyridinyl)methyl]-6-[4-(2-pyridin-4-yl-3-pyridinyl)piperazin-1-yl]hexanamide
CID 76284725
(E)-N'-(8-aminooctyl)-N,N'-bis[3-(quinolin-4-ylamino)propyl]but-2-enediamide
CID 44424240
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CID 155568146
1-Benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118713206
5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-methylpyridine-2-carboxamide
CID 168177342
US10251893, Cpd 157
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one (CID 158069396) is 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one is CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)nc1.CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(C)cc43)CC2)nc1.
What is the InChIKey of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The InChIKey is FLQHEMIQUZVIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H31N5O/c2*1-3-19-4-5-21(25-16-19)17-26-20-8-10-28(11-9-20)12-13-29-23-14-18(2)15-27-22(23)6-7-24(29)30/h2*4-7,14-16,20,26H,3,8-13,17H2,1-2H3.
What are the key properties of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one has a molecular weight of 811.09 g/mol, XLogP of 5.83, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 158069396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).