N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride

C18H23Cl2N3O3 — CID 119891518

IUPACN-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCc1ccnc(Oc2cc(NC(=O)C3COCCN3)ccc2C)c1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-12-5-6-20-17(9-12)24-16-10-14(4-3-13(16)2)21-18(22)15-11-23-8-7-19-15;;/h3-6,9-10,15,19H,7-8,11H2,1-2H3,(H,21,22);2*1H
InChIKeyAJGWEHOLGCOKFU-UHFFFAOYSA-N
MW400.31 g/mol
LogP3.26
Rot. Bonds4

About N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride

N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119891518) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119891518
Molecular FormulaC18H23Cl2N3O3
Molecular Weight400.31 g/mol
Exact Mass399.11
IUPAC NameN-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCc1ccnc(Oc2cc(NC(=O)C3COCCN3)ccc2C)c1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-12-5-6-20-17(9-12)24-16-10-14(4-3-13(16)2)21-18(22)15-11-23-8-7-19-15;;/h3-6,9-10,15,19H,7-8,11H2,1-2H3,(H,21,22);2*1H
InChIKeyAJGWEHOLGCOKFU-UHFFFAOYSA-N
XLogP3.26
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[3-(cyclohexylmethoxy)-4-methylphenyl]morpholine-3-carboxamide
CID 119797837
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119888475
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]piperidine-3-carboxamide
CID 119891511
N-(3-methyl-4-pyridin-3-yloxyphenyl)morpholine-3-carboxamide;dihydrochloride
CID 119864469
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
CID 115377301
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119794822
2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride
CID 119891542
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119891569
N-(3-pyridin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119884828

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride (CID 119891518) is N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride is Cc1ccnc(Oc2cc(NC(=O)C3COCCN3)ccc2C)c1.Cl.Cl.
What is the InChIKey of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is AJGWEHOLGCOKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.2ClH/c1-12-5-6-20-17(9-12)24-16-10-14(4-3-13(16)2)21-18(22)15-11-23-8-7-19-15;;/h3-6,9-10,15,19H,7-8,11H2,1-2H3,(H,21,22);2*1H.
What are the key properties of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride?
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 400.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119891518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).