N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C10H12F3N3O — CID 104872787

IUPACN-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H](CN)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O/c1-6(4-14)16-9(17)7-2-3-8(15-5-7)10(11,12)13/h2-3,5-6H,4,14H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyOCKFGOGJIFQGKF-ZCFIWIBFSA-N
MW247.22 g/mol
LogP1.18
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 104872787) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID104872787
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H](CN)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O/c1-6(4-14)16-9(17)7-2-3-8(15-5-7)10(11,12)13/h2-3,5-6H,4,14H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyOCKFGOGJIFQGKF-ZCFIWIBFSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97247632
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119607870
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120506183
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 104872787) is N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@H](CN)NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OCKFGOGJIFQGKF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(4-14)16-9(17)7-2-3-8(15-5-7)10(11,12)13/h2-3,5-6H,4,14H2,1H3,(H,16,17)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 104872787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).