methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate

C15H23N3O4 — CID 107243083

IUPACmethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
SMILESCCC(Nc1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)OC
InChIInChI=1S/C15H23N3O4/c1-6-11(13(19)21-5)17-10-7-8-12(16-9-10)18-14(20)22-15(2,3)4/h7-9,11,17H,6H2,1-5H3,(H,16,18,20)
InChIKeyUNQIGSAVLYIFJQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate

methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate (PubChem CID 107243083) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
PubChem CID107243083
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namemethyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
SMILESCCC(Nc1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)OC
InChIInChI=1S/C15H23N3O4/c1-6-11(13(19)21-5)17-10-7-8-12(16-9-10)18-14(20)22-15(2,3)4/h7-9,11,17H,6H2,1-5H3,(H,16,18,20)
InChIKeyUNQIGSAVLYIFJQ-UHFFFAOYSA-N
XLogP2.79
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate with MolForge

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Related Compounds

tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
CID 107243064
tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
CID 103936619
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
CID 107240144
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
methyl 2-[4-(methoxycarbonylamino)anilino]butanoate
CID 115352842
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate?
The IUPAC name of methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate (CID 107243083) is methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate?
The canonical SMILES for methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate is CCC(Nc1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)OC.
What is the InChIKey of methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate?
The InChIKey is UNQIGSAVLYIFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-6-11(13(19)21-5)17-10-7-8-12(16-9-10)18-14(20)22-15(2,3)4/h7-9,11,17H,6H2,1-5H3,(H,16,18,20).
What are the key properties of methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate?
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate has a molecular weight of 309.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate is sourced from PubChem (CID 107243083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).