methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate

C17H19ClN4O2 — CID 67508087

IUPACmethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1
InChIInChI=1S/C17H19ClN4O2/c1-12-4-3-5-19-16(12)13-10-15(20-11-14(13)18)21-6-8-22(9-7-21)17(23)24-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZUSLGMNSZQSEGH-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.99
Rot. Bonds2

About methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate

methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 67508087) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID67508087
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Namemethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1
InChIInChI=1S/C17H19ClN4O2/c1-12-4-3-5-19-16(12)13-10-15(20-11-14(13)18)21-6-8-22(9-7-21)17(23)24-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZUSLGMNSZQSEGH-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate (CID 67508087) is methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate is COC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1.
What is the InChIKey of methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is ZUSLGMNSZQSEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-4-3-5-19-16(12)13-10-15(20-11-14(13)18)21-6-8-22(9-7-21)17(23)24-2/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 346.82 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 67508087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).