N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide

C23H26F3N3O3 — CID 1458408

IUPACN-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C23H26F3N3O3/c1-15-8-9-19(32-2)18(14-15)29(22(31)23(24,25)26)20(16-10-12-27-13-11-16)21(30)28-17-6-4-3-5-7-17/h8-14,17,20H,3-7H2,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyFXZOKXAMINAUJB-HXUWFJFHSA-N
MW449.47 g/mol
LogP4.48
Rot. Bonds6

About N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 1458408) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID1458408
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC NameN-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C23H26F3N3O3/c1-15-8-9-19(32-2)18(14-15)29(22(31)23(24,25)26)20(16-10-12-27-13-11-16)21(30)28-17-6-4-3-5-7-17/h8-14,17,20H,3-7H2,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyFXZOKXAMINAUJB-HXUWFJFHSA-N
XLogP4.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
CID 3216420
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1458369
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1458374
N-[4-[(2S)-butan-2-yl]phenyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 1458400
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
CID 1458302
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 1458342
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxy-5-methylanilino)-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 3184697
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-N-(2-methoxy-5-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25308126
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 3215267
4-amino-5-N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-N-(2-methoxy-5-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185592
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1083939
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219264

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide (CID 1458408) is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is FXZOKXAMINAUJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-15-8-9-19(32-2)18(14-15)29(22(31)23(24,25)26)20(16-10-12-27-13-11-16)21(30)28-17-6-4-3-5-7-17/h8-14,17,20H,3-7H2,1-2H3,(H,28,30)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide?
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 449.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 1458408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).