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

C15H23N3O3 — CID 746246

IUPACethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N(CC)CC)c(C)nc1C
InChIInChI=1S/C15H23N3O3/c1-6-18(7-2)15(20)17-13-9-12(14(19)21-8-3)10(4)16-11(13)5/h9H,6-8H2,1-5H3,(H,17,20)
InChIKeyKYUVDXVTXQRQFE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.75
Rot. Bonds5

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

ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 746246) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID746246
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N(CC)CC)c(C)nc1C
InChIInChI=1S/C15H23N3O3/c1-6-18(7-2)15(20)17-13-9-12(14(19)21-8-3)10(4)16-11(13)5/h9H,6-8H2,1-5H3,(H,17,20)
InChIKeyKYUVDXVTXQRQFE-UHFFFAOYSA-N
XLogP2.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate
CID 4788349
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945
ethyl 3-bromo-4-(diethylcarbamoylamino)benzoate
CID 79162080
ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate
CID 5098025
[(5-ethoxycarbonyl-2,6-dimethylpyridine-3-carbonyl)amino]carbamodithioic acid
CID 21238993
ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 4788353
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
CID 23794192
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate (CID 746246) is ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)N(CC)CC)c(C)nc1C.
What is the InChIKey of ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is KYUVDXVTXQRQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-6-18(7-2)15(20)17-13-9-12(14(19)21-8-3)10(4)16-11(13)5/h9H,6-8H2,1-5H3,(H,17,20).
What are the key properties of ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 746246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).