N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide

C19H26F3N3O2 — CID 3216352

IUPACN-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
SMILESCCC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C19H26F3N3O2/c1-3-13(2)25(18(27)19(20,21)22)16(14-9-11-23-12-10-14)17(26)24-15-7-5-4-6-8-15/h9-13,15-16H,3-8H2,1-2H3,(H,24,26)
InChIKeySGRDDAZIWFPEJR-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.76
Rot. Bonds6

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

N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide (PubChem CID 3216352) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
PubChem CID3216352
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
SMILESCCC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C19H26F3N3O2/c1-3-13(2)25(18(27)19(20,21)22)16(14-9-11-23-12-10-14)17(26)24-15-7-5-4-6-8-15/h9-13,15-16H,3-8H2,1-2H3,(H,24,26)
InChIKeySGRDDAZIWFPEJR-UHFFFAOYSA-N
XLogP3.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide (CID 3216352) is N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide is CCC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1.
What is the InChIKey of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide?
The InChIKey is SGRDDAZIWFPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-3-13(2)25(18(27)19(20,21)22)16(14-9-11-23-12-10-14)17(26)24-15-7-5-4-6-8-15/h9-13,15-16H,3-8H2,1-2H3,(H,24,26).
What are the key properties of N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide?
N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide has a molecular weight of 385.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3216352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).