N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide

C18H21N5O — CID 44516295

IUPACN-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cncc(N3C[C@H]4CNC[C@H]4C3)n2)c1
InChIInChI=1S/C18H21N5O/c1-12-3-2-4-13(5-12)18(24)22-16-8-20-9-17(21-16)23-10-14-6-19-7-15(14)11-23/h2-5,8-9,14-15,19H,6-7,10-11H2,1H3,(H,21,22,24)/t14-,15+
InChIKeyCIKQXSXHDTVAHD-GASCZTMLSA-N
MW323.40 g/mol
LogP1.69
Rot. Bonds3

About N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide

N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide (PubChem CID 44516295) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide
PubChem CID44516295
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cncc(N3C[C@H]4CNC[C@H]4C3)n2)c1
InChIInChI=1S/C18H21N5O/c1-12-3-2-4-13(5-12)18(24)22-16-8-20-9-17(21-16)23-10-14-6-19-7-15(14)11-23/h2-5,8-9,14-15,19H,6-7,10-11H2,1H3,(H,21,22,24)/t14-,15+
InChIKeyCIKQXSXHDTVAHD-GASCZTMLSA-N
XLogP1.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide with MolForge

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Related Compounds

N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
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CID 66186058
3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
CID 58349120
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide;(E)-but-2-enedioic acid
CID 56648233
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 44516946
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
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N-(5-bromo-3-pyridinyl)-3-methylbenzamide
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N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide?
The IUPAC name of N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide (CID 44516295) is N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cncc(N3C[C@H]4CNC[C@H]4C3)n2)c1.
What is the InChIKey of N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide?
The InChIKey is CIKQXSXHDTVAHD-GASCZTMLSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-3-2-4-13(5-12)18(24)22-16-8-20-9-17(21-16)23-10-14-6-19-7-15(14)11-23/h2-5,8-9,14-15,19H,6-7,10-11H2,1H3,(H,21,22,24)/t14-,15+.
What are the key properties of N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide?
N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide has a molecular weight of 323.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide is sourced from PubChem (CID 44516295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).