N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide

C12H16F3N3O — CID 119581336

IUPACN-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)C(C)CN
InChIInChI=1S/C12H16F3N3O/c1-7(6-16)18(3)11(19)9-4-5-10(12(13,14)15)17-8(9)2/h4-5,7H,6,16H2,1-3H3
InChIKeyBEIZTXSTJBVRDA-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.83
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 119581336) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID119581336
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)C(C)CN
InChIInChI=1S/C12H16F3N3O/c1-7(6-16)18(3)11(19)9-4-5-10(12(13,14)15)17-8(9)2/h4-5,7H,6,16H2,1-3H3
InChIKeyBEIZTXSTJBVRDA-UHFFFAOYSA-N
XLogP1.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 119581336) is N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BEIZTXSTJBVRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7(6-16)18(3)11(19)9-4-5-10(12(13,14)15)17-8(9)2/h4-5,7H,6,16H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119581336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).