ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate

C20H24FN3O3 — CID 44592173

IUPACethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(CNc2ccc(F)cc2C)nc(N2CCOCC2)c1
InChIInChI=1S/C20H24FN3O3/c1-3-27-20(25)15-11-17(13-22-18-5-4-16(21)10-14(18)2)23-19(12-15)24-6-8-26-9-7-24/h4-5,10-12,22H,3,6-9,13H2,1-2H3
InChIKeyNZTCAAOXNBKKDC-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.15
Rot. Bonds6

About ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate

ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 44592173) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
PubChem CID44592173
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Nameethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(CNc2ccc(F)cc2C)nc(N2CCOCC2)c1
InChIInChI=1S/C20H24FN3O3/c1-3-27-20(25)15-11-17(13-22-18-5-4-16(21)10-14(18)2)23-19(12-15)24-6-8-26-9-7-24/h4-5,10-12,22H,3,6-9,13H2,1-2H3
InChIKeyNZTCAAOXNBKKDC-UHFFFAOYSA-N
XLogP3.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Methyl 6-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate (CID 44592173) is ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate is CCOC(=O)c1cc(CNc2ccc(F)cc2C)nc(N2CCOCC2)c1.
What is the InChIKey of ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is NZTCAAOXNBKKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-3-27-20(25)15-11-17(13-22-18-5-4-16(21)10-14(18)2)23-19(12-15)24-6-8-26-9-7-24/h4-5,10-12,22H,3,6-9,13H2,1-2H3.
What are the key properties of ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate?
ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 44592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).