N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C11H12F3N3O2 — CID 2727054

IUPACN-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCNC(=O)NC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-2-4-16-10(19)17-9(18)7-6-15-5-3-8(7)11(12,13)14/h3,5-6H,2,4H2,1H3,(H2,16,17,18,19)
InChIKeyOVDSCCOHEKDPTB-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.95
Rot. Bonds3

About N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727054) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727054
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC NameN-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCNC(=O)NC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-2-4-16-10(19)17-9(18)7-6-15-5-3-8(7)11(12,13)14/h3,5-6H,2,4H2,1H3,(H2,16,17,18,19)
InChIKeyOVDSCCOHEKDPTB-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727054) is N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is CCCNC(=O)NC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OVDSCCOHEKDPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-2-4-16-10(19)17-9(18)7-6-15-5-3-8(7)11(12,13)14/h3,5-6H,2,4H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylcarbamoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).