3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide

C12H18N4O — CID 175207063

IUPAC3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCc1c(N2CCNCC2)cnc(C(N)=O)c1C
InChIInChI=1S/C12H18N4O/c1-8-9(2)11(12(13)17)15-7-10(8)16-5-3-14-4-6-16/h7,14H,3-6H2,1-2H3,(H2,13,17)
InChIKeyZAHQOYWXZSVZGG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.21
Rot. Bonds2

About 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide

3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 175207063) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID175207063
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCc1c(N2CCNCC2)cnc(C(N)=O)c1C
InChIInChI=1S/C12H18N4O/c1-8-9(2)11(12(13)17)15-7-10(8)16-5-3-14-4-6-16/h7,14H,3-6H2,1-2H3,(H2,13,17)
InChIKeyZAHQOYWXZSVZGG-UHFFFAOYSA-N
XLogP0.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide (CID 175207063) is 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide is Cc1c(N2CCNCC2)cnc(C(N)=O)c1C.
What is the InChIKey of 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is ZAHQOYWXZSVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-9(2)11(12(13)17)15-7-10(8)16-5-3-14-4-6-16/h7,14H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 175207063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).