N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

C13H20Cl2F3N3O — CID 119667500

IUPACN-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-2-3-4-10(7-17)19-12(20)9-5-6-11(18-8-9)13(14,15)16;;/h5-6,8,10H,2-4,7,17H2,1H3,(H,19,20);2*1H
InChIKeyDPMBWJKAWDKXRM-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.19
Rot. Bonds6

About N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119667500) has the molecular formula C13H20Cl2F3N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119667500
Molecular FormulaC13H20Cl2F3N3O
Molecular Weight362.22 g/mol
Exact Mass361.09
IUPAC NameN-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-2-3-4-10(7-17)19-12(20)9-5-6-11(18-8-9)13(14,15)16;;/h5-6,8,10H,2-4,7,17H2,1H3,(H,19,20);2*1H
InChIKeyDPMBWJKAWDKXRM-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (CID 119667500) is N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is DPMBWJKAWDKXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.2ClH/c1-2-3-4-10(7-17)19-12(20)9-5-6-11(18-8-9)13(14,15)16;;/h5-6,8,10H,2-4,7,17H2,1H3,(H,19,20);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 362.22 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119667500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).