2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide

C12H18N4O — CID 177356020

IUPAC2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(C)nc1N1CCNCC1
InChIInChI=1S/C12H18N4O/c1-8-7-10(11(13)17)9(2)15-12(8)16-5-3-14-4-6-16/h7,14H,3-6H2,1-2H3,(H2,13,17)
InChIKeyRUXGMGWUAFZCII-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.21
Rot. Bonds2

About 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide

2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 177356020) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID177356020
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(C)nc1N1CCNCC1
InChIInChI=1S/C12H18N4O/c1-8-7-10(11(13)17)9(2)15-12(8)16-5-3-14-4-6-16/h7,14H,3-6H2,1-2H3,(H2,13,17)
InChIKeyRUXGMGWUAFZCII-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
ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate
CID 117100436
2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide
CID 142787178
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate
CID 117100433
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 154907806
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide (CID 177356020) is 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(C)nc1N1CCNCC1.
What is the InChIKey of 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is RUXGMGWUAFZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-10(11(13)17)9(2)15-12(8)16-5-3-14-4-6-16/h7,14H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide?
2,5-dimethyl-6-piperazin-1-ylpyridine-3-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 2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 177356020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).