ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate

C16H19N3O4 — CID 2360945

IUPACethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)NCc2ccco2)c(C)nc1C
InChIInChI=1S/C16H19N3O4/c1-4-22-15(20)13-8-14(11(3)18-10(13)2)19-16(21)17-9-12-6-5-7-23-12/h5-8H,4,9H2,1-3H3,(H2,17,19,21)
InChIKeyINQUTDRWPPVMDR-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.79
Rot. Bonds5

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

ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 2360945) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID2360945
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)NCc2ccco2)c(C)nc1C
InChIInChI=1S/C16H19N3O4/c1-4-22-15(20)13-8-14(11(3)18-10(13)2)19-16(21)17-9-12-6-5-7-23-12/h5-8H,4,9H2,1-3H3,(H2,17,19,21)
InChIKeyINQUTDRWPPVMDR-UHFFFAOYSA-N
XLogP2.79
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[4-(furan-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303578
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632980
5-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 62074358
4-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 61187529
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
CID 110178948
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate (CID 2360945) is ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)NCc2ccco2)c(C)nc1C.
What is the InChIKey of ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is INQUTDRWPPVMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-22-15(20)13-8-14(11(3)18-10(13)2)19-16(21)17-9-12-6-5-7-23-12/h5-8H,4,9H2,1-3H3,(H2,17,19,21).
What are the key properties of ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 2360945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).