N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride

C20H29Cl2N3O2 — CID 119598143

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2cncc(C(=O)NC(C)(CN)CC(C)C)c2)cc1.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-14(2)10-20(3,13-21)23-19(24)17-9-16(11-22-12-17)15-5-7-18(25-4)8-6-15;;/h5-9,11-12,14H,10,13,21H2,1-4H3,(H,23,24);2*1H
InChIKeyNMHDTDJWXAAKKZ-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.09
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119598143) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119598143
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2cncc(C(=O)NC(C)(CN)CC(C)C)c2)cc1.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-14(2)10-20(3,13-21)23-19(24)17-9-16(11-22-12-17)15-5-7-18(25-4)8-6-15;;/h5-9,11-12,14H,10,13,21H2,1-4H3,(H,23,24);2*1H
InChIKeyNMHDTDJWXAAKKZ-UHFFFAOYSA-N
XLogP4.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 115309726
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride (CID 119598143) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride is COc1ccc(-c2cncc(C(=O)NC(C)(CN)CC(C)C)c2)cc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is NMHDTDJWXAAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.2ClH/c1-14(2)10-20(3,13-21)23-19(24)17-9-16(11-22-12-17)15-5-7-18(25-4)8-6-15;;/h5-9,11-12,14H,10,13,21H2,1-4H3,(H,23,24);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 414.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119598143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).