2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C14H18F3N3O — CID 79875668

IUPAC2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(CC1CC1)Nc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-2-9(7-8-3-4-8)19-13-10(12(18)21)5-6-11(20-13)14(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,21)(H,19,20)
InChIKeyHPLHYRDRPFNBEI-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.19
Rot. Bonds6

About 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875668) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875668
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCC(CC1CC1)Nc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-2-9(7-8-3-4-8)19-13-10(12(18)21)5-6-11(20-13)14(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,21)(H,19,20)
InChIKeyHPLHYRDRPFNBEI-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875668) is 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is CCC(CC1CC1)Nc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HPLHYRDRPFNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-2-9(7-8-3-4-8)19-13-10(12(18)21)5-6-11(20-13)14(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 301.31 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 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).