N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide

C19H22FN3O — CID 113010072

IUPACN-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C19H22FN3O/c20-15-8-6-14(7-9-15)12-19(24)23-17-10-11-18(21-13-17)22-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12H2,(H,21,22)(H,23,24)
InChIKeyQVNMXGVCVGTQLN-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.15
Rot. Bonds5

About N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113010072) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID113010072
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C19H22FN3O/c20-15-8-6-14(7-9-15)12-19(24)23-17-10-11-18(21-13-17)22-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12H2,(H,21,22)(H,23,24)
InChIKeyQVNMXGVCVGTQLN-UHFFFAOYSA-N
XLogP4.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(cyclohexylamino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113010094
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849
N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014791
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113010076
N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113009220
2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009609
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 113010072) is N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(NC2CCCCC2)nc1.
What is the InChIKey of N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is QVNMXGVCVGTQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-15-8-6-14(7-9-15)12-19(24)23-17-10-11-18(21-13-17)22-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12H2,(H,21,22)(H,23,24).
What are the key properties of N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113010072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).