[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone

C18H20N4O2 — CID 3611578

IUPAC[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)C(C)CN1C(=O)c1cccnc1
InChIInChI=1S/C18H20N4O2/c1-13-11-22(18(24)16-6-4-8-20-10-16)14(2)12-21(13)17(23)15-5-3-7-19-9-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyUWKUYNOPXZRUMA-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.85
Rot. Bonds2

About [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone

[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 3611578) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID3611578
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)C(C)CN1C(=O)c1cccnc1
InChIInChI=1S/C18H20N4O2/c1-13-11-22(18(24)16-6-4-8-20-10-16)14(2)12-21(13)17(23)15-5-3-7-19-9-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyUWKUYNOPXZRUMA-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 3611578) is [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone is CC1CN(C(=O)c2cccnc2)C(C)CN1C(=O)c1cccnc1.
What is the InChIKey of [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is UWKUYNOPXZRUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-11-22(18(24)16-6-4-8-20-10-16)14(2)12-21(13)17(23)15-5-3-7-19-9-15/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 324.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 3611578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).