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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Related Compounds

2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 174165166
3,4-dimethyl-5-piperazin-1-ylpyridazine
CID 91150829
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
CID 23018250
6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
CID 81232904
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide
CID 167334977
2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide
CID 67506551
5,6-dimethyl-4-piperazin-1-ylpyridin-2-amine
CID 175106562
3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
CID 69364402
ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate
CID 90194836

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).