methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate

C29H35N3O5 — CID 171085704

IUPACmethyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2nc(-c3c(C)cc(C)cc3OC)ccc12
InChIInChI=1S/C29H35N3O5/c1-17-13-18(2)25(24(14-17)35-6)22-11-10-20-21(27(33)36-7)15-23(31-26(20)30-22)19-9-8-12-32(16-19)28(34)37-29(3,4)5/h10-11,13-15,19H,8-9,12,16H2,1-7H3
InChIKeyHGTWRKGSSKIZPD-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.82
Rot. Bonds4

About methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate

methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate (PubChem CID 171085704) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
PubChem CID171085704
Molecular FormulaC29H35N3O5
Molecular Weight505.62 g/mol
Exact Mass505.26
IUPAC Namemethyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2nc(-c3c(C)cc(C)cc3OC)ccc12
InChIInChI=1S/C29H35N3O5/c1-17-13-18(2)25(24(14-17)35-6)22-11-10-20-21(27(33)36-7)15-23(31-26(20)30-22)19-9-8-12-32(16-19)28(34)37-29(3,4)5/h10-11,13-15,19H,8-9,12,16H2,1-7H3
InChIKeyHGTWRKGSSKIZPD-UHFFFAOYSA-N
XLogP5.82
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-3-methyl-4-oxopyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carboxylate
CID 171085754
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085746
tert-butyl 4-hydroxy-3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085626
tert-butyl 5-[7-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,8-naphthyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085808
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
tert-butyl 4-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]-2,3-dihydropyrrole-1-carboxylate
CID 171085455
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-[6-[2-(methoxymethoxy)-4,6-dimethylphenyl]pyridazine-3-carbonyl]piperidine-1-carboxylate
CID 170226436
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913
tert-butyl (3R)-3-[[7-bromo-5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
CID 171778018

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate (CID 171085704) is methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate is COC(=O)c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2nc(-c3c(C)cc(C)cc3OC)ccc12.
What is the InChIKey of methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate?
The InChIKey is HGTWRKGSSKIZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-17-13-18(2)25(24(14-17)35-6)22-11-10-20-21(27(33)36-7)15-23(31-26(20)30-22)19-9-8-12-32(16-19)28(34)37-29(3,4)5/h10-11,13-15,19H,8-9,12,16H2,1-7H3.
What are the key properties of methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate?
methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate has a molecular weight of 505.62 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate is sourced from PubChem (CID 171085704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).