(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone

C17H18Cl2N4O2 — CID 155946645

IUPAC(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-2-25-15-6-4-13(19)16(21-15)17(24)23-9-7-22(8-10-23)14-5-3-12(18)11-20-14/h3-6,11H,2,7-10H2,1H3
InChIKeyBDGCEUAANWYXRF-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.14
Rot. Bonds4

About (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone

(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 155946645) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID155946645
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-2-25-15-6-4-13(19)16(21-15)17(24)23-9-7-22(8-10-23)14-5-3-12(18)11-20-14/h3-6,11H,2,7-10H2,1H3
InChIKeyBDGCEUAANWYXRF-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70708295
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56564765
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone
CID 156585369
7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60572281
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119848016
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
(3,6-dichloro-2-pyridinyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 34563260
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70708291
5-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 56820279
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone (CID 155946645) is (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone is CCOc1ccc(Cl)c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is BDGCEUAANWYXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-2-25-15-6-4-13(19)16(21-15)17(24)23-9-7-22(8-10-23)14-5-3-12(18)11-20-14/h3-6,11H,2,7-10H2,1H3.
What are the key properties of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone?
(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 381.26 g/mol, XLogP of 3.14, 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-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 155946645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).