N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C14H17F3N2O2 — CID 122135450

IUPACN-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1nc(C)ccc1C(=O)N(CC(F)(F)F)C1CCC1
InChIInChI=1S/C14H17F3N2O2/c1-9-6-7-11(12(18-9)21-2)13(20)19(8-14(15,16)17)10-4-3-5-10/h6-7,10H,3-5,8H2,1-2H3
InChIKeySRKOEKUQFKRRRE-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.96
Rot. Bonds4

About N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 122135450) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID122135450
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1nc(C)ccc1C(=O)N(CC(F)(F)F)C1CCC1
InChIInChI=1S/C14H17F3N2O2/c1-9-6-7-11(12(18-9)21-2)13(20)19(8-14(15,16)17)10-4-3-5-10/h6-7,10H,3-5,8H2,1-2H3
InChIKeySRKOEKUQFKRRRE-UHFFFAOYSA-N
XLogP2.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 122135450) is N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is COc1nc(C)ccc1C(=O)N(CC(F)(F)F)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is SRKOEKUQFKRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-6-7-11(12(18-9)21-2)13(20)19(8-14(15,16)17)10-4-3-5-10/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122135450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).