N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

C13H20Cl2F3N3O — CID 119570954

IUPACN-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-3-12(4-2,8-17)19-11(20)9-5-6-10(18-7-9)13(14,15)16;;/h5-7H,3-4,8,17H2,1-2H3,(H,19,20);2*1H
InChIKeyRMMWXFVFWHJQEZ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.19
Rot. Bonds5

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

N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119570954) has the molecular formula C13H20Cl2F3N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119570954
Molecular FormulaC13H20Cl2F3N3O
Molecular Weight362.22 g/mol
Exact Mass361.09
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-3-12(4-2,8-17)19-11(20)9-5-6-10(18-7-9)13(14,15)16;;/h5-7H,3-4,8,17H2,1-2H3,(H,19,20);2*1H
InChIKeyRMMWXFVFWHJQEZ-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119607870
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119572061
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500
N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119569884
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
N-(3-ethylpentan-3-yl)-6-hydrazinylpyridine-3-carboxamide
CID 65042874
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (CID 119570954) is N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is CCC(CC)(CN)NC(=O)c1ccc(C(F)(F)F)nc1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is RMMWXFVFWHJQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.2ClH/c1-3-12(4-2,8-17)19-11(20)9-5-6-10(18-7-9)13(14,15)16;;/h5-7H,3-4,8,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 362.22 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119570954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).