(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone

C15H15ClN2O2 — CID 116552207

IUPAC(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-5-20-12-6-11(8-18-9-12)15(19)10-3-4-13(16)14(17)7-10/h3-4,6-9H,2,5,17H2,1H3
InChIKeyGOGQHUOIXHPNDY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.34
Rot. Bonds5

About (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone

(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 116552207) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID116552207
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-5-20-12-6-11(8-18-9-12)15(19)10-3-4-13(16)14(17)7-10/h3-4,6-9H,2,5,17H2,1H3
InChIKeyGOGQHUOIXHPNDY-UHFFFAOYSA-N
XLogP3.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 116554126
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116581855
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone (CID 116552207) is (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is GOGQHUOIXHPNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-5-20-12-6-11(8-18-9-12)15(19)10-3-4-13(16)14(17)7-10/h3-4,6-9H,2,5,17H2,1H3.
What are the key properties of (3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 290.75 g/mol, XLogP of 3.34, 5 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-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116552207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).