N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide

C17H25N3O2 — CID 3240382

IUPACN-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyVYLDPSVXLWTIAJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.74
Rot. Bonds5

About N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide

N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide (PubChem CID 3240382) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide
PubChem CID3240382
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyVYLDPSVXLWTIAJ-UHFFFAOYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.74
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-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide (CID 3240382) is N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide is CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccncc1.
What is the InChIKey of N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
The InChIKey is VYLDPSVXLWTIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22).
What are the key properties of N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
N-[3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.74, 5 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-4-ylamino)butan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3240382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).