N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide

C19H23N3O2 — CID 113010076

IUPACN-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C19H23N3O2/c23-19(14-24-17-9-5-2-6-10-17)22-16-11-12-18(20-13-16)21-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,20,21)(H,22,23)
InChIKeyOUSDGMAMTWJZRT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.84
Rot. Bonds6

About N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide

N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide (PubChem CID 113010076) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
PubChem CID113010076
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C19H23N3O2/c23-19(14-24-17-9-5-2-6-10-17)22-16-11-12-18(20-13-16)21-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,20,21)(H,22,23)
InChIKeyOUSDGMAMTWJZRT-UHFFFAOYSA-N
XLogP3.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide (CID 113010076) is N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(NC2CCCCC2)nc1.
What is the InChIKey of N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide?
The InChIKey is OUSDGMAMTWJZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(14-24-17-9-5-2-6-10-17)22-16-11-12-18(20-13-16)21-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,20,21)(H,22,23).
What are the key properties of N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide?
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 113010076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).