methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate

C15H23N3O4 — CID 141413882

IUPACmethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-6-5-17-12-7-11(9-16-10-12)8-13(19)21-4/h7,9-10,17H,5-6,8H2,1-4H3,(H,18,20)
InChIKeyQWUIVYCZLVRECR-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.73
Rot. Bonds6

About methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate

methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate (PubChem CID 141413882) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate
PubChem CID141413882
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namemethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-6-5-17-12-7-11(9-16-10-12)8-13(19)21-4/h7,9-10,17H,5-6,8H2,1-4H3,(H,18,20)
InChIKeyQWUIVYCZLVRECR-UHFFFAOYSA-N
XLogP1.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 53401501
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-[(6-bromo-3-pyridinyl)amino]ethyl]carbamate
CID 103949623
tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
CID 115628869
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate
CID 20824070
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723
tert-butyl N-[2-[[1-(2-methoxypropyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
CID 103220950
tert-butyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]carbamate
CID 114518194
tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate
CID 134320079

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate (CID 141413882) is methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate is COC(=O)Cc1cncc(NCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate?
The InChIKey is QWUIVYCZLVRECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-6-5-17-12-7-11(9-16-10-12)8-13(19)21-4/h7,9-10,17H,5-6,8H2,1-4H3,(H,18,20).
What are the key properties of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate?
methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate has a molecular weight of 309.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate is sourced from PubChem (CID 141413882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).