(3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one

C14H18Cl2N2O — CID 157251049

IUPAC(3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one
SMILESC[C@@H](NC1CCCC1)C(=O)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(17-11-4-2-3-5-11)12(19)8-10-6-7-13(15)18-14(10)16/h6-7,9,11,17H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyAWISMANMJNTYOD-SECBINFHSA-N
MW301.22 g/mol
LogP3.42
Rot. Bonds5

About (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one

(3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one (PubChem CID 157251049) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one.

Molecular Properties

Compound Name(3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one
PubChem CID157251049
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one
SMILESC[C@@H](NC1CCCC1)C(=O)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(17-11-4-2-3-5-11)12(19)8-10-6-7-13(15)18-14(10)16/h6-7,9,11,17H,2-5,8H2,1H3/t9-/m1/s1
InChIKeyAWISMANMJNTYOD-SECBINFHSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one?
The IUPAC name of (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one (CID 157251049) is (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one.
What is the SMILES notation for (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one?
The canonical SMILES for (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one is C[C@@H](NC1CCCC1)C(=O)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one?
The InChIKey is AWISMANMJNTYOD-SECBINFHSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(17-11-4-2-3-5-11)12(19)8-10-6-7-13(15)18-14(10)16/h6-7,9,11,17H,2-5,8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one?
(3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one has a molecular weight of 301.22 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopentylamino)-1-(2,6-dichloro-3-pyridinyl)butan-2-one is sourced from PubChem (CID 157251049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).