N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride

C18H32Cl2N4O — CID 119569884

IUPACN-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(N2CCC(C)CC2)nc1.Cl.Cl
InChIInChI=1S/C18H30N4O.2ClH/c1-4-18(5-2,13-19)21-17(23)15-6-7-16(20-12-15)22-10-8-14(3)9-11-22;;/h6-7,12,14H,4-5,8-11,13,19H2,1-3H3,(H,21,23);2*1H
InChIKeyBAWLONXBCDNGQG-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.41
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119569884) has the molecular formula C18H32Cl2N4O and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119569884
Molecular FormulaC18H32Cl2N4O
Molecular Weight391.39 g/mol
Exact Mass390.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(N2CCC(C)CC2)nc1.Cl.Cl
InChIInChI=1S/C18H30N4O.2ClH/c1-4-18(5-2,13-19)21-17(23)15-6-7-16(20-12-15)22-10-8-14(3)9-11-22;;/h6-7,12,14H,4-5,8-11,13,19H2,1-3H3,(H,21,23);2*1H
InChIKeyBAWLONXBCDNGQG-UHFFFAOYSA-N
XLogP3.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119641202
N-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 97023794
N-[2-(methylamino)propyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120827370
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119570954
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 119654094
N-[[1-(methylamino)cyclopropyl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 167828040
N-(2-amino-2-phenylethyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 119528228
(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid
CID 119360590
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366174

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride (CID 119569884) is N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride is CCC(CC)(CN)NC(=O)c1ccc(N2CCC(C)CC2)nc1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is BAWLONXBCDNGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.2ClH/c1-4-18(5-2,13-19)21-17(23)15-6-7-16(20-12-15)22-10-8-14(3)9-11-22;;/h6-7,12,14H,4-5,8-11,13,19H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 391.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119569884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).