N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride

C19H27Cl2N3O2 — CID 119659833

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(Oc2ccccc2)ccn1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14(2)17(20)10-12-22(3)19(23)18-13-16(9-11-21-18)24-15-7-5-4-6-8-15;;/h4-9,11,13-14,17H,10,12,20H2,1-3H3;2*1H
InChIKeyHRZTULHEYMADCC-UHFFFAOYSA-N
MW400.35 g/mol
LogP4.16
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride (PubChem CID 119659833) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
PubChem CID119659833
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(Oc2ccccc2)ccn1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14(2)17(20)10-12-22(3)19(23)18-13-16(9-11-21-18)24-15-7-5-4-6-8-15;;/h4-9,11,13-14,17H,10,12,20H2,1-3H3;2*1H
InChIKeyHRZTULHEYMADCC-UHFFFAOYSA-N
XLogP4.16
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119583757
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-phenoxypyridine-2-carboxamide
CID 109399798
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid
CID 120516393
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119659251
N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119661310
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119660427
N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119660116
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-3-propan-2-yloxypyridine-2-carboxamide
CID 119659840

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride (CID 119659833) is N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)c1cc(Oc2ccccc2)ccn1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The InChIKey is HRZTULHEYMADCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-14(2)17(20)10-12-22(3)19(23)18-13-16(9-11-21-18)24-15-7-5-4-6-8-15;;/h4-9,11,13-14,17H,10,12,20H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119659833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).