N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride

C17H23Cl2N3O — CID 120649613

IUPACN-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-14-8-9-16(12-19-14)17(21)20(11-5-10-18)13-15-6-3-2-4-7-15;;/h2-4,6-9,12H,5,10-11,13,18H2,1H3;2*1H
InChIKeySSAAWBIJFNDQQQ-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.22
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride

N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 120649613) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID120649613
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-14-8-9-16(12-19-14)17(21)20(11-5-10-18)13-15-6-3-2-4-7-15;;/h2-4,6-9,12H,5,10-11,13,18H2,1H3;2*1H
InChIKeySSAAWBIJFNDQQQ-UHFFFAOYSA-N
XLogP3.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107365954
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 120649857
N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
CID 107365742
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride (CID 120649613) is N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride is Cc1ccc(C(=O)N(CCCN)Cc2ccccc2)cn1.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is SSAAWBIJFNDQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-14-8-9-16(12-19-14)17(21)20(11-5-10-18)13-15-6-3-2-4-7-15;;/h2-4,6-9,12H,5,10-11,13,18H2,1H3;2*1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride?
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120649613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).