N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride

C17H32Cl2N4O — CID 119666664

IUPACN-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(N(CC)CCC)nc1.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-4-7-8-15(12-18)20-17(22)14-9-10-16(19-13-14)21(6-3)11-5-2;;/h9-10,13,15H,4-8,11-12,18H2,1-3H3,(H,20,22);2*1H
InChIKeyURMSRGSNCQDEHH-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.41
Rot. Bonds10

About N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride

N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119666664) has the molecular formula C17H32Cl2N4O and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride
PubChem CID119666664
Molecular FormulaC17H32Cl2N4O
Molecular Weight379.38 g/mol
Exact Mass378.20
IUPAC NameN-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(N(CC)CCC)nc1.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-4-7-8-15(12-18)20-17(22)14-9-10-16(19-13-14)21(6-3)11-5-2;;/h9-10,13,15H,4-8,11-12,18H2,1-3H3,(H,20,22);2*1H
InChIKeyURMSRGSNCQDEHH-UHFFFAOYSA-N
XLogP3.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500
N-(3-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119997079
6-(diethylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 47080109
N-(2-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119628032
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119667368
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119666075
N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119666969
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride (CID 119666664) is N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)c1ccc(N(CC)CCC)nc1.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is URMSRGSNCQDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.2ClH/c1-4-7-8-15(12-18)20-17(22)14-9-10-16(19-13-14)21(6-3)11-5-2;;/h9-10,13,15H,4-8,11-12,18H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 379.38 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119666664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).