N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C10H12F3N3O — CID 119382029

IUPACN-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCN
InChIInChI=1S/C10H12F3N3O/c1-6-7(9(17)15-5-4-14)2-3-8(16-6)10(11,12)13/h2-3H,4-5,14H2,1H3,(H,15,17)
InChIKeyOJALWKUPEKPCEY-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.10
Rot. Bonds3

About N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 119382029) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID119382029
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCN
InChIInChI=1S/C10H12F3N3O/c1-6-7(9(17)15-5-4-14)2-3-8(16-6)10(11,12)13/h2-3H,4-5,14H2,1H3,(H,15,17)
InChIKeyOJALWKUPEKPCEY-UHFFFAOYSA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69437945
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46981446
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120506183
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119585454
N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843308
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595384
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97311248
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120944494

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 119382029) is N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OJALWKUPEKPCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-7(9(17)15-5-4-14)2-3-8(16-6)10(11,12)13/h2-3H,4-5,14H2,1H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119382029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).