6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide

C12H18N4O — CID 143465750

IUPAC6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(N)=O)cn2)C[C@H](C)N1
InChIInChI=1S/C12H18N4O/c1-8-6-16(7-9(2)15-8)11-4-3-10(5-14-11)12(13)17/h3-5,8-9,15H,6-7H2,1-2H3,(H2,13,17)/t8-,9+
InChIKeySQZKQTIZUCDMNM-DTORHVGOSA-N
MW234.30 g/mol
LogP0.37
Rot. Bonds2

About 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide

6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 143465750) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID143465750
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(N)=O)cn2)C[C@H](C)N1
InChIInChI=1S/C12H18N4O/c1-8-6-16(7-9(2)15-8)11-4-3-10(5-14-11)12(13)17/h3-5,8-9,15H,6-7H2,1-2H3,(H2,13,17)/t8-,9+
InChIKeySQZKQTIZUCDMNM-DTORHVGOSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 146153254
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-3-carboxamide
CID 102683347
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721
6-(2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide
CID 162767740
N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 123950096

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide (CID 143465750) is 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2ccc(C(N)=O)cn2)C[C@H](C)N1.
What is the InChIKey of 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SQZKQTIZUCDMNM-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-16(7-9(2)15-8)11-4-3-10(5-14-11)12(13)17/h3-5,8-9,15H,6-7H2,1-2H3,(H2,13,17)/t8-,9+.
What are the key properties of 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143465750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).