ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate

C17H25N3O4 — CID 4788349

IUPACethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CC(C)OC(C)C2)c(C)nc1C
InChIInChI=1S/C17H25N3O4/c1-6-23-16(21)14-7-15(13(5)18-12(14)4)19-17(22)20-8-10(2)24-11(3)9-20/h7,10-11H,6,8-9H2,1-5H3,(H,19,22)
InChIKeyINDRJDPVULSEOS-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.52
Rot. Bonds3

About ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate

ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate (PubChem CID 4788349) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate
PubChem CID4788349
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nameethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CC(C)OC(C)C2)c(C)nc1C
InChIInChI=1S/C17H25N3O4/c1-6-23-16(21)14-7-15(13(5)18-12(14)4)19-17(22)20-8-10(2)24-11(3)9-20/h7,10-11H,6,8-9H2,1-5H3,(H,19,22)
InChIKeyINDRJDPVULSEOS-UHFFFAOYSA-N
XLogP2.52
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 4788353
ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
ethyl 4-[[5-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2,6-dimethyl-3-pyridinyl]carbamoyl]piperazine-1-carboxylate
CID 4616185
ethyl 2,6-dimethyl-5-(oxolan-2-ylmethylcarbamoylamino)pyridine-3-carboxylate
CID 5098025
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
CID 23794192
ethyl 5-(furan-2-ylmethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2360945
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-fluorobenzoic acid
CID 61186692
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-5-iodobenzoic acid
CID 63111639

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate (CID 4788349) is ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)N2CC(C)OC(C)C2)c(C)nc1C.
What is the InChIKey of ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is INDRJDPVULSEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-6-23-16(21)14-7-15(13(5)18-12(14)4)19-17(22)20-8-10(2)24-11(3)9-20/h7,10-11H,6,8-9H2,1-5H3,(H,19,22).
What are the key properties of ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 4788349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).