2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide

C18H20ClN3O3 — CID 69073211

IUPAC2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOC(COc3ccccc3Cl)C2)n1
InChIInChI=1S/C18H20ClN3O3/c1-13-5-4-8-17(20-13)21-18(23)22-9-10-24-14(11-22)12-25-16-7-3-2-6-15(16)19/h2-8,14H,9-12H2,1H3,(H,20,21,23)
InChIKeyAVDCPPIAPRPAED-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.36
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide

2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide (PubChem CID 69073211) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
PubChem CID69073211
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOC(COc3ccccc3Cl)C2)n1
InChIInChI=1S/C18H20ClN3O3/c1-13-5-4-8-17(20-13)21-18(23)22-9-10-24-14(11-22)12-25-16-7-3-2-6-15(16)19/h2-8,14H,9-12H2,1H3,(H,20,21,23)
InChIKeyAVDCPPIAPRPAED-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 24899481
2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide
CID 69071874
2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 87679982
2-[(2-chloro-3-pyridinyl)oxymethyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87680787
N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)phenoxy]methyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87679538
2-[(3-chloro-4-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69071497
2-[(3,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69065222
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
(2S)-1-[(2R)-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-chlorophenoxy)propan-1-one
CID 92759978
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
3-[2-(2-chlorophenoxy)ethyl]-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-carboxamide
CID 69064453

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide (CID 69073211) is 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide is Cc1cccc(NC(=O)N2CCOC(COc3ccccc3Cl)C2)n1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
The InChIKey is AVDCPPIAPRPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-13-5-4-8-17(20-13)21-18(23)22-9-10-24-14(11-22)12-25-16-7-3-2-6-15(16)19/h2-8,14H,9-12H2,1H3,(H,20,21,23).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide?
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 69073211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).