N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H21F3N2O2 — CID 170149217

IUPACN-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1C(C)C(C)C
InChIInChI=1S/C19H21F3N2O2/c1-10(2)12(4)15-8-14(6-5-11(15)3)24-18(26)16-7-13(19(20,21)22)9-23-17(16)25/h5-10,12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyDEUSFBUBRJHCLS-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.71
Rot. Bonds4

About N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 170149217) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID170149217
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1C(C)C(C)C
InChIInChI=1S/C19H21F3N2O2/c1-10(2)12(4)15-8-14(6-5-11(15)3)24-18(26)16-7-13(19(20,21)22)9-23-17(16)25/h5-10,12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyDEUSFBUBRJHCLS-UHFFFAOYSA-N
XLogP4.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 170149217) is N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1C(C)C(C)C.
What is the InChIKey of N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DEUSFBUBRJHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-10(2)12(4)15-8-14(6-5-11(15)3)24-18(26)16-7-13(19(20,21)22)9-23-17(16)25/h5-10,12H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 170149217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).