(3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

C17H19ClN4O2 — CID 56818930

IUPAC(3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-2-24-15-4-3-14(18)16(20-15)17(23)22-11-9-21(10-12-22)13-5-7-19-8-6-13/h3-8H,2,9-12H2,1H3
InChIKeyAJSFAIFWCPCNMB-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.49
Rot. Bonds4

About (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

(3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 56818930) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID56818930
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-2-24-15-4-3-14(18)16(20-15)17(23)22-11-9-21(10-12-22)13-5-7-19-8-6-13/h3-8H,2,9-12H2,1H3
InChIKeyAJSFAIFWCPCNMB-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 56818930) is (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is CCOc1ccc(Cl)c(C(=O)N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is AJSFAIFWCPCNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-2-24-15-4-3-14(18)16(20-15)17(23)22-11-9-21(10-12-22)13-5-7-19-8-6-13/h3-8H,2,9-12H2,1H3.
What are the key properties of (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 346.82 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-ethoxy-2-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56818930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).