N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride

C21H32Cl2N4O — CID 119661472

IUPACN-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.Cl.Cl
InChIInChI=1S/C21H30N4O.2ClH/c1-15(2)20(22)10-11-25(5)21(26)18-12-17(13-23-14-18)16-6-8-19(9-7-16)24(3)4;;/h6-9,12-15,20H,10-11,22H2,1-5H3;2*1H
InChIKeyVUZIBFQIUYUGFZ-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.10
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride

N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119661472) has the molecular formula C21H32Cl2N4O and a molecular weight of 427.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID119661472
Molecular FormulaC21H32Cl2N4O
Molecular Weight427.42 g/mol
Exact Mass426.20
IUPAC NameN-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.Cl.Cl
InChIInChI=1S/C21H30N4O.2ClH/c1-15(2)20(22)10-11-25(5)21(26)18-12-17(13-23-14-18)16-6-8-19(9-7-16)24(3)4;;/h6-9,12-15,20H,10-11,22H2,1-5H3;2*1H
InChIKeyVUZIBFQIUYUGFZ-UHFFFAOYSA-N
XLogP4.10
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride (CID 119661472) is N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is VUZIBFQIUYUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.2ClH/c1-15(2)20(22)10-11-25(5)21(26)18-12-17(13-23-14-18)16-6-8-19(9-7-16)24(3)4;;/h6-9,12-15,20H,10-11,22H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 427.42 g/mol, XLogP of 4.10, 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)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119661472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).