N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride

C19H25Cl2N3O2 — CID 91645725

IUPACN-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCc1ccc(CC(NC(=O)C2CNCCO2)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-14-4-6-15(7-5-14)11-17(16-3-2-8-20-12-16)22-19(23)18-13-21-9-10-24-18;;/h2-8,12,17-18,21H,9-11,13H2,1H3,(H,22,23);2*1H
InChIKeyQGJXLGNATVEERM-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride

N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 91645725) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID91645725
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCc1ccc(CC(NC(=O)C2CNCCO2)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-14-4-6-15(7-5-14)11-17(16-3-2-8-20-12-16)22-19(23)18-13-21-9-10-24-18;;/h2-8,12,17-18,21H,9-11,13H2,1H3,(H,22,23);2*1H
InChIKeyQGJXLGNATVEERM-UHFFFAOYSA-N
XLogP2.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[1-(3-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119716523
N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119806702
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910
4-cyano-N-[(1S)-2-(4-methylphenyl)-1-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
CID 97220633
N-(2,3-diphenylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119803971
3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one
CID 175079955
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119685359
N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119748246

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride (CID 91645725) is N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride is Cc1ccc(CC(NC(=O)C2CNCCO2)c2cccnc2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is QGJXLGNATVEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c1-14-4-6-15(7-5-14)11-17(16-3-2-8-20-12-16)22-19(23)18-13-21-9-10-24-18;;/h2-8,12,17-18,21H,9-11,13H2,1H3,(H,22,23);2*1H.
What are the key properties of N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride?
N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 91645725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).