1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one

C15H16ClN3O — CID 116598749

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cc(Cl)cnc1N)c1ccc(N)cc1
InChIInChI=1S/C15H16ClN3O/c1-15(2,9-3-5-11(17)6-4-9)13(20)12-7-10(16)8-19-14(12)18/h3-8H,17H2,1-2H3,(H2,18,19)
InChIKeyCOGUKBJAVHLDLN-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one

1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one (PubChem CID 116598749) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one
PubChem CID116598749
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cc(Cl)cnc1N)c1ccc(N)cc1
InChIInChI=1S/C15H16ClN3O/c1-15(2,9-3-5-11(17)6-4-9)13(20)12-7-10(16)8-19-14(12)18/h3-8H,17H2,1-2H3,(H2,18,19)
InChIKeyCOGUKBJAVHLDLN-UHFFFAOYSA-N
XLogP3.06
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one (CID 116598749) is 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one is CC(C)(C(=O)c1cc(Cl)cnc1N)c1ccc(N)cc1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one?
The InChIKey is COGUKBJAVHLDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-15(2,9-3-5-11(17)6-4-9)13(20)12-7-10(16)8-19-14(12)18/h3-8H,17H2,1-2H3,(H2,18,19).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one?
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one has a molecular weight of 289.77 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).