N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride

C16H20Cl3N3O — CID 119498518

IUPACN-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1.Cl.Cl
InChIInChI=1S/C16H18ClN3O.2ClH/c1-11(18)6-7-20-16(21)14-8-13(9-19-10-14)12-2-4-15(17)5-3-12;;/h2-5,8-11H,6-7,18H2,1H3,(H,20,21);2*1H
InChIKeyNEBRANIDROOURG-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.71
Rot. Bonds5

About N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride

N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119498518) has the molecular formula C16H20Cl3N3O and a molecular weight of 376.72 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119498518
Molecular FormulaC16H20Cl3N3O
Molecular Weight376.72 g/mol
Exact Mass375.07
IUPAC NameN-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1.Cl.Cl
InChIInChI=1S/C16H18ClN3O.2ClH/c1-11(18)6-7-20-16(21)14-8-13(9-19-10-14)12-2-4-15(17)5-3-12;;/h2-5,8-11H,6-7,18H2,1H3,(H,20,21);2*1H
InChIKeyNEBRANIDROOURG-UHFFFAOYSA-N
XLogP3.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 46114981
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
CID 42845804
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119998431
N-(3-aminobutyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119496336

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride (CID 119498518) is N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride is CC(N)CCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is NEBRANIDROOURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O.2ClH/c1-11(18)6-7-20-16(21)14-8-13(9-19-10-14)12-2-4-15(17)5-3-12;;/h2-5,8-11H,6-7,18H2,1H3,(H,20,21);2*1H.
What are the key properties of N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride?
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 376.72 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119498518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).