methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate

C26H29N3O6 — CID 170636902

IUPACmethyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2cccc3c(C(=O)NCCCNC(=O)OC(C)(C)C)cccc23)nc1
InChIInChI=1S/C26H29N3O6/c1-26(2,3)35-25(32)28-15-7-14-27-23(30)20-10-5-9-19-18(20)8-6-11-21(19)34-22-13-12-17(16-29-22)24(31)33-4/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,27,30)(H,28,32)
InChIKeyXISLGJFEDVHJJI-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.46
Rot. Bonds8

About methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate

methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate (PubChem CID 170636902) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate
PubChem CID170636902
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Namemethyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2cccc3c(C(=O)NCCCNC(=O)OC(C)(C)C)cccc23)nc1
InChIInChI=1S/C26H29N3O6/c1-26(2,3)35-25(32)28-15-7-14-27-23(30)20-10-5-9-19-18(20)8-6-11-21(19)34-22-13-12-17(16-29-22)24(31)33-4/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,27,30)(H,28,32)
InChIKeyXISLGJFEDVHJJI-UHFFFAOYSA-N
XLogP4.46
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[3-[(3-amino-2-methoxybenzoyl)amino]propyl]carbamate
CID 104932608
methyl 6-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylate
CID 170080472
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylate
CID 135268117
6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119431195
methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885304
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
dimethyl 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxoethoxy]benzene-1,2-dicarboxylate
CID 155982391
tert-butyl N-[3-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815444
2-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecoxy]benzoic acid
CID 134353591
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl 6-(2-cyanophenoxy)pyridine-3-carboxylate
CID 166368688
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate (CID 170636902) is methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate is COC(=O)c1ccc(Oc2cccc3c(C(=O)NCCCNC(=O)OC(C)(C)C)cccc23)nc1.
What is the InChIKey of methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate?
The InChIKey is XISLGJFEDVHJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-26(2,3)35-25(32)28-15-7-14-27-23(30)20-10-5-9-19-18(20)8-6-11-21(19)34-22-13-12-17(16-29-22)24(31)33-4/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,27,30)(H,28,32).
What are the key properties of methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate?
methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate has a molecular weight of 479.53 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamoyl]naphthalen-1-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 170636902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).