N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H23F3N2O3 — CID 155464454

IUPACN-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC[C@H](C[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(C)cc1)OC
InChIInChI=1S/C20H23F3N2O3/c1-4-14(28-3)11-16(13-7-5-12(2)6-8-13)24-18(26)15-9-10-17(20(21,22)23)25-19(15)27/h5-10,14,16H,4,11H2,1-3H3,(H,24,26)(H,25,27)/t14-,16-/m1/s1
InChIKeyPLFSNHUSQUCVDN-GDBMZVCRSA-N
MW396.41 g/mol
LogP3.99
Rot. Bonds7

About N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464454) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464454
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC[C@H](C[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(C)cc1)OC
InChIInChI=1S/C20H23F3N2O3/c1-4-14(28-3)11-16(13-7-5-12(2)6-8-13)24-18(26)15-9-10-17(20(21,22)23)25-19(15)27/h5-10,14,16H,4,11H2,1-3H3,(H,24,26)(H,25,27)/t14-,16-/m1/s1
InChIKeyPLFSNHUSQUCVDN-GDBMZVCRSA-N
XLogP3.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464454) is N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC[C@H](C[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(C)cc1)OC.
What is the InChIKey of N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PLFSNHUSQUCVDN-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-4-14(28-3)11-16(13-7-5-12(2)6-8-13)24-18(26)15-9-10-17(20(21,22)23)25-19(15)27/h5-10,14,16H,4,11H2,1-3H3,(H,24,26)(H,25,27)/t14-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-methoxy-1-(4-methylphenyl)pentyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).