[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

C15H23ClN4O — CID 63615127

IUPAC[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCCNc1ccc(Cl)c(C(=O)N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C15H23ClN4O/c1-5-17-12-7-6-11(16)13(18-12)14(21)20-9-8-19(4)15(2,3)10-20/h6-7H,5,8-10H2,1-4H3,(H,17,18)
InChIKeyLQYFDJPBFXNEEY-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.33
Rot. Bonds3

About [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 63615127) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID63615127
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCCNc1ccc(Cl)c(C(=O)N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C15H23ClN4O/c1-5-17-12-7-6-11(16)13(18-12)14(21)20-9-8-19(4)15(2,3)10-20/h6-7H,5,8-10H2,1-4H3,(H,17,18)
InChIKeyLQYFDJPBFXNEEY-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 63615127) is [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is CCNc1ccc(Cl)c(C(=O)N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is LQYFDJPBFXNEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-5-17-12-7-6-11(16)13(18-12)14(21)20-9-8-19(4)15(2,3)10-20/h6-7H,5,8-10H2,1-4H3,(H,17,18).
What are the key properties of [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 310.83 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63615127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).