ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate

C20H24N2O5 — CID 71144248

IUPACethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)OC(C)(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O5/c1-5-25-18(23)15-11-16(26-13-14-9-7-6-8-10-14)17(21-12-15)22-19(24)27-20(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,22,24)
InChIKeyLAHWIBVXJSHEPG-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.18
Rot. Bonds6

About ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate

ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate (PubChem CID 71144248) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
PubChem CID71144248
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nameethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)OC(C)(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O5/c1-5-25-18(23)15-11-16(26-13-14-9-7-6-8-10-14)17(21-12-15)22-19(24)27-20(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,22,24)
InChIKeyLAHWIBVXJSHEPG-UHFFFAOYSA-N
XLogP4.18
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-8-phenylmethoxyquinoline-3-carboxylate
CID 10765971
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-2-carboxylate
CID 178148128
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
CID 166524697
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 170948312
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 5-iodo-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 70296682
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate (CID 71144248) is ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate is CCOC(=O)c1cnc(NC(=O)OC(C)(C)C)c(OCc2ccccc2)c1.
What is the InChIKey of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate?
The InChIKey is LAHWIBVXJSHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-25-18(23)15-11-16(26-13-14-9-7-6-8-10-14)17(21-12-15)22-19(24)27-20(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,22,24).
What are the key properties of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate?
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate is sourced from PubChem (CID 71144248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).