ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

C13H18N2O4 — CID 19349079

IUPACethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H18N2O4/c1-5-18-11(16)9-7-6-8-10(14-9)15-12(17)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)
InChIKeyLXFUIDQWOBQJOE-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.61
Rot. Bonds3

About ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (PubChem CID 19349079) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
PubChem CID19349079
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H18N2O4/c1-5-18-11(16)9-7-6-8-10(14-9)15-12(17)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)
InChIKeyLXFUIDQWOBQJOE-UHFFFAOYSA-N
XLogP2.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]cyclopropane-1-carboxylate
CID 137365392
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylate
CID 171885520
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carboxylate
CID 53393346
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (CID 19349079) is ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is CCOC(=O)c1cccc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The InChIKey is LXFUIDQWOBQJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-18-11(16)9-7-6-8-10(14-9)15-12(17)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17).
What are the key properties of ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 19349079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).