N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide

C18H22F3N3O2 — CID 1458302

IUPACN-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)17(26)24(14-6-7-14)15(12-8-10-22-11-9-12)16(25)23-13-4-2-1-3-5-13/h8-11,13-15H,1-7H2,(H,23,25)/t15-/m1/s1
InChIKeyYFSXOIVDLNJZCN-OAHLLOKOSA-N
MW369.39 g/mol
LogP3.12
Rot. Bonds5

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

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide (PubChem CID 1458302) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
PubChem CID1458302
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)17(26)24(14-6-7-14)15(12-8-10-22-11-9-12)16(25)23-13-4-2-1-3-5-13/h8-11,13-15H,1-7H2,(H,23,25)/t15-/m1/s1
InChIKeyYFSXOIVDLNJZCN-OAHLLOKOSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 1458342
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1458307
N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
CID 1458499
N-[4-[(2S)-butan-2-yl]phenyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 1458400
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]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
CID 1458408
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1458374
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 3900369
2-[(2-chloroacetyl)-cyclopentylamino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 3506765
2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688301
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25318490
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide (CID 1458302) is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide is O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CC1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The InChIKey is YFSXOIVDLNJZCN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)17(26)24(14-6-7-14)15(12-8-10-22-11-9-12)16(25)23-13-4-2-1-3-5-13/h8-11,13-15H,1-7H2,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide has a molecular weight of 369.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1458302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).