5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C13H18F3N3O2 — CID 177250569

IUPAC5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(C)CNCc1cc(C(N)=O)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)4-18-5-9-3-10(11(17)20)12(21)19(6-9)7-13(14,15)16/h3,6,8,18H,4-5,7H2,1-2H3,(H2,17,20)
InChIKeySYKSLNDAVPUSRX-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.26
Rot. Bonds6

About 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 177250569) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID177250569
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(C)CNCc1cc(C(N)=O)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)4-18-5-9-3-10(11(17)20)12(21)19(6-9)7-13(14,15)16/h3,6,8,18H,4-5,7H2,1-2H3,(H2,17,20)
InChIKeySYKSLNDAVPUSRX-UHFFFAOYSA-N
XLogP1.26
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 177250569) is 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CC(C)CNCc1cc(C(N)=O)c(=O)n(CC(F)(F)F)c1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is SYKSLNDAVPUSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(2)4-18-5-9-3-10(11(17)20)12(21)19(6-9)7-13(14,15)16/h3,6,8,18H,4-5,7H2,1-2H3,(H2,17,20).
What are the key properties of 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177250569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).