2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide

C18H20ClN3O3 — CID 87036072

IUPAC2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
SMILESCOc1cc(CNC(=O)N2CCOC(c3ccc(Cl)cc3)C2)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-24-17-10-13(6-7-20-17)11-21-18(23)22-8-9-25-16(12-22)14-2-4-15(19)5-3-14/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyVYSCORIXQDOZAF-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide

2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide (PubChem CID 87036072) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
PubChem CID87036072
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
SMILESCOc1cc(CNC(=O)N2CCOC(c3ccc(Cl)cc3)C2)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-24-17-10-13(6-7-20-17)11-21-18(23)22-8-9-25-16(12-22)14-2-4-15(19)5-3-14/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyVYSCORIXQDOZAF-UHFFFAOYSA-N
XLogP3.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
CID 99618971
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089
2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)morpholine-4-carboxamide
CID 87034963
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
(2R)-2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 129369434

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide (CID 87036072) is 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide is COc1cc(CNC(=O)N2CCOC(c3ccc(Cl)cc3)C2)ccn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
The InChIKey is VYSCORIXQDOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-24-17-10-13(6-7-20-17)11-21-18(23)22-8-9-25-16(12-22)14-2-4-15(19)5-3-14/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 87036072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).