1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one

C19H23ClN4O2 — CID 67508192

IUPAC1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14-4-3-6-21-19(14)15-12-17(22-13-16(15)20)23-7-9-24(10-8-23)18(25)5-11-26-2/h3-4,6,12-13H,5,7-11H2,1-2H3
InChIKeyQGNJSWIUKGSEON-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.79
Rot. Bonds5

About 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one

1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 67508192) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID67508192
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14-4-3-6-21-19(14)15-12-17(22-13-16(15)20)23-7-9-24(10-8-23)18(25)5-11-26-2/h3-4,6,12-13H,5,7-11H2,1-2H3
InChIKeyQGNJSWIUKGSEON-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one (CID 67508192) is 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1.
What is the InChIKey of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is QGNJSWIUKGSEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14-4-3-6-21-19(14)15-12-17(22-13-16(15)20)23-7-9-24(10-8-23)18(25)5-11-26-2/h3-4,6,12-13H,5,7-11H2,1-2H3.
What are the key properties of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one?
1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 374.87 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 67508192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).