2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate

C18H20ClN3O3 — CID 3058624

IUPAC2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate
SMILESO=C(OCCN1CCOCC1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3/c19-14-3-5-15(6-4-14)21-17-16(2-1-7-20-17)18(23)25-13-10-22-8-11-24-12-9-22/h1-7H,8-13H2,(H,20,21)
InChIKeyQZQBCXPSPKOFGX-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.97
Rot. Bonds6

About 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate

2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate (PubChem CID 3058624) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate
PubChem CID3058624
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate
SMILESO=C(OCCN1CCOCC1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3/c19-14-3-5-15(6-4-14)21-17-16(2-1-7-20-17)18(23)25-13-10-22-8-11-24-12-9-22/h1-7H,8-13H2,(H,20,21)
InChIKeyQZQBCXPSPKOFGX-UHFFFAOYSA-N
XLogP2.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate (CID 3058624) is 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate is O=C(OCCN1CCOCC1)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate?
The InChIKey is QZQBCXPSPKOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-14-3-5-15(6-4-14)21-17-16(2-1-7-20-17)18(23)25-13-10-22-8-11-24-12-9-22/h1-7H,8-13H2,(H,20,21).
What are the key properties of 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate?
2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 3058624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).