N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride

C18H26Cl2N4O — CID 119998431

IUPACN-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-13(9-19)10-21-18(23)16-8-15(11-20-12-16)14-4-6-17(7-5-14)22(2)3;;/h4-8,11-13H,9-10,19H2,1-3H3,(H,21,23);2*1H
InChIKeyMLBUBTGIYLBJKQ-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.98
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride

N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119998431) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119998431
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-13(9-19)10-21-18(23)16-8-15(11-20-12-16)14-4-6-17(7-5-14)22(2)3;;/h4-8,11-13H,9-10,19H2,1-3H3,(H,21,23);2*1H
InChIKeyMLBUBTGIYLBJKQ-UHFFFAOYSA-N
XLogP2.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 119644073
5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166368586
N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide
CID 119657225
N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119661472
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide
CID 87108554
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
CID 119498518
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
CID 119996678
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
CID 81064641

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride (CID 119998431) is N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride is CC(CN)CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is MLBUBTGIYLBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-13(9-19)10-21-18(23)16-8-15(11-20-12-16)14-4-6-17(7-5-14)22(2)3;;/h4-8,11-13H,9-10,19H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119998431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).