2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide

C14H20N4O — CID 114770138

IUPAC2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(N2CC3CNCC3C2C)n1
InChIInChI=1S/C14H20N4O/c1-8-3-10(14(15)19)4-13(17-8)18-7-11-5-16-6-12(11)9(18)2/h3-4,9,11-12,16H,5-7H2,1-2H3,(H2,15,19)
InChIKeyKAHSTOUTUFMFNG-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.53
Rot. Bonds2

About 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide

2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide (PubChem CID 114770138) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide
PubChem CID114770138
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(N2CC3CNCC3C2C)n1
InChIInChI=1S/C14H20N4O/c1-8-3-10(14(15)19)4-13(17-8)18-7-11-5-16-6-12(11)9(18)2/h3-4,9,11-12,16H,5-7H2,1-2H3,(H2,15,19)
InChIKeyKAHSTOUTUFMFNG-UHFFFAOYSA-N
XLogP0.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-(4-carbamoyl-6-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892397
1-(4-carbamoyl-6-methyl-2-pyridinyl)piperazine-2-carboxamide
CID 114770103
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)benzamide
CID 66210409
4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
CID 136978604
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112635034
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitrobenzamide
CID 66209623
6-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 66208279
2-methyl-6-[(6-methylmorpholin-2-yl)methoxy]pyridine-4-carboxamide
CID 102635403
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3,4-thiadiazole
CID 66210022
4,5-dimethyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-thiazole
CID 66208283
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile
CID 66208860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide (CID 114770138) is 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide is Cc1cc(C(N)=O)cc(N2CC3CNCC3C2C)n1.
What is the InChIKey of 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide?
The InChIKey is KAHSTOUTUFMFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-8-3-10(14(15)19)4-13(17-8)18-7-11-5-16-6-12(11)9(18)2/h3-4,9,11-12,16H,5-7H2,1-2H3,(H2,15,19).
What are the key properties of 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide?
2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114770138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).