N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide

C23H26F3N3O3 — CID 1458369

IUPACN-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C23H26F3N3O3/c1-2-32-19-11-7-6-10-18(19)29(22(31)23(24,25)26)20(16-12-14-27-15-13-16)21(30)28-17-8-4-3-5-9-17/h6-7,10-15,17,20H,2-5,8-9H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyMDOXTSCVSHKKEZ-FQEVSTJZSA-N
MW449.47 g/mol
LogP4.57
Rot. Bonds7

About N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 1458369) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID1458369
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC NameN-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C23H26F3N3O3/c1-2-32-19-11-7-6-10-18(19)29(22(31)23(24,25)26)20(16-12-14-27-15-13-16)21(30)28-17-8-4-3-5-9-17/h6-7,10-15,17,20H,2-5,8-9H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyMDOXTSCVSHKKEZ-FQEVSTJZSA-N
XLogP4.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1083920
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1458374
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
CID 1458408
N-[4-[(2S)-butan-2-yl]phenyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 1458400
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 1458342
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
CID 1458302
4,5-dichloro-N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 98101681
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1458307
4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(2-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 3197136
4,5-dichloro-N-[(1S)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 98101750
4-amino-5-N-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-5-N-(2-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185630

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide (CID 1458369) is N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide is CCOc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is MDOXTSCVSHKKEZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-2-32-19-11-7-6-10-18(19)29(22(31)23(24,25)26)20(16-12-14-27-15-13-16)21(30)28-17-8-4-3-5-9-17/h6-7,10-15,17,20H,2-5,8-9H2,1H3,(H,28,30)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 449.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1458369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).