methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate

C15H23N3O5 — CID 135136562

IUPACmethyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H23N3O5/c1-15(2,3)23-14(20)17-8-5-9-22-12-10(16)6-7-11(18-12)13(19)21-4/h6-7H,5,8-9,16H2,1-4H3,(H,17,20)
InChIKeyPTZOTHPRBSBYLR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.74
Rot. Bonds6

About methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate

methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate (PubChem CID 135136562) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
PubChem CID135136562
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Namemethyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H23N3O5/c1-15(2,3)23-14(20)17-8-5-9-22-12-10(16)6-7-11(18-12)13(19)21-4/h6-7H,5,8-9,16H2,1-4H3,(H,17,20)
InChIKeyPTZOTHPRBSBYLR-UHFFFAOYSA-N
XLogP1.74
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-amino-6-[3-(dimethylamino)propoxy]pyridine-2-carboxylate
CID 114408846
tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
CID 164576734
methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 164580250
methyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 67283586
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
5-amino-6-(3-methoxy-3-methylbutoxy)pyridine-2-carboxylic acid
CID 106666355
diethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2,6-dicarboxylate
CID 67145385
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate
CID 66815923
5-amino-6-(2-methoxyethoxy)pyridine-2-carboxamide
CID 114408602
tert-butyl N-[2-[[3-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]pyrazine-2-carbonyl]amino]ethyl]carbamate
CID 141213739

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate (CID 135136562) is methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(OCCCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
The InChIKey is PTZOTHPRBSBYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-15(2,3)23-14(20)17-8-5-9-22-12-10(16)6-7-11(18-12)13(19)21-4/h6-7H,5,8-9,16H2,1-4H3,(H,17,20).
What are the key properties of methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate?
methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate is sourced from PubChem (CID 135136562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).