ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate

C12H16N2O4 — CID 746249

IUPACethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)OC)c(C)nc1C
InChIInChI=1S/C12H16N2O4/c1-5-18-11(15)9-6-10(14-12(16)17-4)8(3)13-7(9)2/h6H,5H2,1-4H3,(H,14,16)
InChIKeyNFXDTSNOLSGYKC-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.05
Rot. Bonds3

About ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate

ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 746249) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID746249
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)OC)c(C)nc1C
InChIInChI=1S/C12H16N2O4/c1-5-18-11(15)9-6-10(14-12(16)17-4)8(3)13-7(9)2/h6H,5H2,1-4H3,(H,14,16)
InChIKeyNFXDTSNOLSGYKC-UHFFFAOYSA-N
XLogP2.05
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
CID 245983
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CID 657658
Ethyl 5-(3,3-diisopropylureido)-2,6-dimethylnicotinate
CID 2948213
Ethyl 4-[(2-aminophenyl)amino]-2,6-dimethylnicotinate
CID 766509
Ethyl 5-(3-(4-bromophenyl)ureido)-2,6-dimethylnicotinate
CID 2139911
ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2377074
Ethyl 5-{[cyclohexyl(methyl)carbamoyl]amino}-2,6-dimethylpyridine-3-carboxylate
CID 9459724
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-dimethyl ester
CID 854175
Ethyl 2,6-dimethyl-5-[(4-morpholinylcarbonyl)amino]nicotinate
CID 2947802
Ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
Ethyl 5-((ethoxycarbonyl)amino)-2,6-dimethylnicotinate
CID 746257
2-[(5-Ethoxycarbonyl-2,6-dimethyl-3-pyridinyl)carbamoylsulfanyl]acetic acid
CID 2377077

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate (CID 746249) is ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)OC)c(C)nc1C.
What is the InChIKey of ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is NFXDTSNOLSGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-5-18-11(15)9-6-10(14-12(16)17-4)8(3)13-7(9)2/h6H,5H2,1-4H3,(H,14,16).
What are the key properties of ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 746249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).