N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide

C17H25N3O3 — CID 87050396

IUPACN-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C)n(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C17H25N3O3/c1-3-15(21)19-14-10-9-12(2)20(17(14)23)11-16(22)18-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyOSGKLHRFVXZNRW-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.95
Rot. Bonds5

About N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide

N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide (PubChem CID 87050396) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
PubChem CID87050396
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C)n(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C17H25N3O3/c1-3-15(21)19-14-10-9-12(2)20(17(14)23)11-16(22)18-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyOSGKLHRFVXZNRW-UHFFFAOYSA-N
XLogP1.95
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
The IUPAC name of N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide (CID 87050396) is N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide.
What is the SMILES notation for N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
The canonical SMILES for N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(C)n(CC(=O)NC2CCCCC2)c1=O.
What is the InChIKey of N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
The InChIKey is OSGKLHRFVXZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-15(21)19-14-10-9-12(2)20(17(14)23)11-16(22)18-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide has a molecular weight of 319.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide is sourced from PubChem (CID 87050396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).