N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide

C17H25N3O2 — CID 1452762

IUPACN-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
SMILESCCCC(=O)Nc1cc(C)c(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C17H25N3O2/c1-3-7-16(21)20-15-10-12(2)14(11-18-15)19-17(22)13-8-5-4-6-9-13/h10-11,13H,3-9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyLETUTIJQPGDTOH-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.65
Rot. Bonds5

About N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide

N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 1452762) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
PubChem CID1452762
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
SMILESCCCC(=O)Nc1cc(C)c(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C17H25N3O2/c1-3-7-16(21)20-15-10-12(2)14(11-18-15)19-17(22)13-8-5-4-6-9-13/h10-11,13H,3-9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyLETUTIJQPGDTOH-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide (CID 1452762) is N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide is CCCC(=O)Nc1cc(C)c(NC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is LETUTIJQPGDTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-7-16(21)20-15-10-12(2)14(11-18-15)19-17(22)13-8-5-4-6-9-13/h10-11,13H,3-9H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide?
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 1452762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).