ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate

C17H26N2O5 — CID 169148889

IUPACethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1c(NC(=O)OC(C)(C)C)cc(C)nc1OC
InChIInChI=1S/C17H26N2O5/c1-7-23-14(20)9-8-12-13(10-11(2)18-15(12)22-6)19-16(21)24-17(3,4)5/h10H,7-9H2,1-6H3,(H,18,19,21)
InChIKeyHKYSEFAGQRXYNE-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.24
Rot. Bonds6

About ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate

ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate (PubChem CID 169148889) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
PubChem CID169148889
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nameethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1c(NC(=O)OC(C)(C)C)cc(C)nc1OC
InChIInChI=1S/C17H26N2O5/c1-7-23-14(20)9-8-12-13(10-11(2)18-15(12)22-6)19-16(21)24-17(3,4)5/h10H,7-9H2,1-6H3,(H,18,19,21)
InChIKeyHKYSEFAGQRXYNE-UHFFFAOYSA-N
XLogP3.24
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl N-[[5-(aminomethyl)-6-methoxy-4-methyl-2-pyridinyl]methyl]carbamate
CID 67951653
ethyl 2-[2-cyano-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 123702114
methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 67356334
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096
tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
CID 69221542
ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
CID 106660444
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate
CID 139502832

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate (CID 169148889) is ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate is CCOC(=O)CCc1c(NC(=O)OC(C)(C)C)cc(C)nc1OC.
What is the InChIKey of ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
The InChIKey is HKYSEFAGQRXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-7-23-14(20)9-8-12-13(10-11(2)18-15(12)22-6)19-16(21)24-17(3,4)5/h10H,7-9H2,1-6H3,(H,18,19,21).
What are the key properties of ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate has a molecular weight of 338.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate is sourced from PubChem (CID 169148889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).