ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate

C18H23N3O3 — CID 20930637

IUPACethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(-c2ccc(N3CCOCC3)nc2)c1C
InChIInChI=1S/C18H23N3O3/c1-4-24-18(22)16-11-13(2)21(14(16)3)15-5-6-17(19-12-15)20-7-9-23-10-8-20/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyBFJBSANTYAYFSS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.50
Rot. Bonds4

About ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate

ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate (PubChem CID 20930637) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
PubChem CID20930637
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(-c2ccc(N3CCOCC3)nc2)c1C
InChIInChI=1S/C18H23N3O3/c1-4-24-18(22)16-11-13(2)21(14(16)3)15-5-6-17(19-12-15)20-7-9-23-10-8-20/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyBFJBSANTYAYFSS-UHFFFAOYSA-N
XLogP2.50
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate
CID 159140970
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 658482
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
ethyl 2,5-dimethyl-1-[2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]-2-oxoethyl]pyrrole-3-carboxylate
CID 46561306
(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate
CID 40572132
ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
CID 158655887
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 16585934

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate (CID 20930637) is ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(-c2ccc(N3CCOCC3)nc2)c1C.
What is the InChIKey of ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate?
The InChIKey is BFJBSANTYAYFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-24-18(22)16-11-13(2)21(14(16)3)15-5-6-17(19-12-15)20-7-9-23-10-8-20/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate is sourced from PubChem (CID 20930637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).