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

C18H21Cl2N3O3 — CID 3058623

IUPAC2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3.ClH/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);1H
InChIKeyNWMMTJDVPBEJCI-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.39
Rot. Bonds6

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

2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride (PubChem CID 3058623) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride
PubChem CID3058623
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC Name2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3.ClH/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);1H
InChIKeyNWMMTJDVPBEJCI-UHFFFAOYSA-N
XLogP3.39
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.39
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;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride (CID 3058623) is 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride is Cl.O=C(OCCN1CCOCC1)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride?
The InChIKey is NWMMTJDVPBEJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3.ClH/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);1H.
What are the key properties of 2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride?
2-morpholin-4-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride has a molecular weight of 398.29 g/mol, XLogP of 3.39, 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;hydrochloride is sourced from PubChem (CID 3058623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).