(E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one

C19H19ClN2O — CID 46880767

IUPAC(E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C19H19ClN2O/c20-17-8-4-1-5-14(17)9-11-18(23)15-10-12-19(21-13-15)22-16-6-2-3-7-16/h1,4-5,8-13,16H,2-3,6-7H2,(H,21,22)/b11-9+
InChIKeyIFKVMOXTDKESBB-PKNBQFBNSA-N
MW326.83 g/mol
LogP4.99
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one

(E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one (PubChem CID 46880767) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one
PubChem CID46880767
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name(E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C19H19ClN2O/c20-17-8-4-1-5-14(17)9-11-18(23)15-10-12-19(21-13-15)22-16-6-2-3-7-16/h1,4-5,8-13,16H,2-3,6-7H2,(H,21,22)/b11-9+
InChIKeyIFKVMOXTDKESBB-PKNBQFBNSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one (CID 46880767) is (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)c1ccc(NC2CCCC2)nc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one?
The InChIKey is IFKVMOXTDKESBB-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-17-8-4-1-5-14(17)9-11-18(23)15-10-12-19(21-13-15)22-16-6-2-3-7-16/h1,4-5,8-13,16H,2-3,6-7H2,(H,21,22)/b11-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one?
(E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one has a molecular weight of 326.83 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one is sourced from PubChem (CID 46880767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).