N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide

C13H18N4O2 — CID 138011592

IUPACN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(=O)N[C@]23CCC[C@H]2CNC3)ncc1=O
InChIInChI=1S/C13H18N4O2/c1-17-7-10(15-6-11(17)18)12(19)16-13-4-2-3-9(13)5-14-8-13/h6-7,9,14H,2-5,8H2,1H3,(H,16,19)/t9-,13-/m0/s1
InChIKeyCCUJNOLMSSAALB-ZANVPECISA-N
MW262.31 g/mol
LogP-0.35
Rot. Bonds2

About N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide

N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide (PubChem CID 138011592) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide
PubChem CID138011592
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide
SMILESCn1cc(C(=O)N[C@]23CCC[C@H]2CNC3)ncc1=O
InChIInChI=1S/C13H18N4O2/c1-17-7-10(15-6-11(17)18)12(19)16-13-4-2-3-9(13)5-14-8-13/h6-7,9,14H,2-5,8H2,1H3,(H,16,19)/t9-,13-/m0/s1
InChIKeyCCUJNOLMSSAALB-ZANVPECISA-N
XLogP-0.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide
CID 154807672
4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
CID 126796383
N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide
CID 166270764
N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 166326688
N-(1-piperidin-4-ylcyclopropyl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 166261898
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide
CID 154772685
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 65124084
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide
CID 136588398
1-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 107497845
2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid
CID 18335043
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide?
The IUPAC name of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide (CID 138011592) is N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide.
What is the SMILES notation for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide?
The canonical SMILES for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide is Cn1cc(C(=O)N[C@]23CCC[C@H]2CNC3)ncc1=O.
What is the InChIKey of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide?
The InChIKey is CCUJNOLMSSAALB-ZANVPECISA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-7-10(15-6-11(17)18)12(19)16-13-4-2-3-9(13)5-14-8-13/h6-7,9,14H,2-5,8H2,1H3,(H,16,19)/t9-,13-/m0/s1.
What are the key properties of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide?
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide is sourced from PubChem (CID 138011592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).