(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

C15H15ClN2O2 — CID 116552234

IUPAC(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)20-12-5-11(7-18-8-12)15(19)10-3-4-13(16)14(17)6-10/h3-9H,17H2,1-2H3
InChIKeyVZYHJIPZSMBOTF-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.34
Rot. Bonds4

About (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 116552234) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID116552234
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)20-12-5-11(7-18-8-12)15(19)10-3-4-13(16)14(17)6-10/h3-9H,17H2,1-2H3
InChIKeyVZYHJIPZSMBOTF-UHFFFAOYSA-N
XLogP3.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116581855
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
2-chloro-5-propan-2-yloxyaniline
CID 39237829
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281
(3-amino-4-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298208

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 116552234) is (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1cncc(C(=O)c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is VZYHJIPZSMBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9(2)20-12-5-11(7-18-8-12)15(19)10-3-4-13(16)14(17)6-10/h3-9H,17H2,1-2H3.
What are the key properties of (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 290.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 116552234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).