N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C17H25N3O3 — CID 3352169

IUPACN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-3-17(2,16(23)19-13-7-5-4-6-8-13)20-15(22)12-9-10-14(21)18-11-12/h9-11,13H,3-8H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyLIMYWAHIYUBAHK-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.72
Rot. Bonds5

About N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 3352169) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID3352169
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-3-17(2,16(23)19-13-7-5-4-6-8-13)20-15(22)12-9-10-14(21)18-11-12/h9-11,13H,3-8H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyLIMYWAHIYUBAHK-UHFFFAOYSA-N
XLogP1.72
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 3352169) is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is CCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LIMYWAHIYUBAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-17(2,16(23)19-13-7-5-4-6-8-13)20-15(22)12-9-10-14(21)18-11-12/h9-11,13H,3-8H2,1-2H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 3352169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).