N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide

C18H27N3O2 — CID 3244177

IUPACN-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1
InChIInChI=1S/C18H27N3O2/c1-13(2)16(21-17(22)14-8-4-3-5-9-14)18(23)20-12-15-10-6-7-11-19-15/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWGHZUVQVSIBJPM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.42
Rot. Bonds6

About N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide

N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide (PubChem CID 3244177) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide
PubChem CID3244177
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1
InChIInChI=1S/C18H27N3O2/c1-13(2)16(21-17(22)14-8-4-3-5-9-14)18(23)20-12-15-10-6-7-11-19-15/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWGHZUVQVSIBJPM-UHFFFAOYSA-N
XLogP2.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide (CID 3244177) is N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide is CC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1.
What is the InChIKey of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide?
The InChIKey is WGHZUVQVSIBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)16(21-17(22)14-8-4-3-5-9-14)18(23)20-12-15-10-6-7-11-19-15/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide?
N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3244177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).