N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride

C19H24Cl2N4O3 — CID 119887029

IUPACN-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2CNCCO2)cc1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-23(19(25)15-6-8-20-9-7-15)16-4-2-14(3-5-16)12-22-18(24)17-13-21-10-11-26-17;;/h2-9,17,21H,10-13H2,1H3,(H,22,24);2*1H
InChIKeyYTMZZGIPMDRVMI-UHFFFAOYSA-N
MW427.33 g/mol
LogP1.81
Rot. Bonds5

About N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride

N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119887029) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119887029
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC NameN-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2CNCCO2)cc1.Cl.Cl
InChIInChI=1S/C19H22N4O3.2ClH/c1-23(19(25)15-6-8-20-9-7-15)16-4-2-14(3-5-16)12-22-18(24)17-13-21-10-11-26-17;;/h2-9,17,21H,10-13H2,1H3,(H,22,24);2*1H
InChIKeyYTMZZGIPMDRVMI-UHFFFAOYSA-N
XLogP1.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119805525
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887021
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride (CID 119887029) is N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride is CN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2CNCCO2)cc1.Cl.Cl.
What is the InChIKey of N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is YTMZZGIPMDRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.2ClH/c1-23(19(25)15-6-8-20-9-7-15)16-4-2-14(3-5-16)12-22-18(24)17-13-21-10-11-26-17;;/h2-9,17,21H,10-13H2,1H3,(H,22,24);2*1H.
What are the key properties of N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride?
N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 427.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119887029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).