(3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

C16H24N4O2 — CID 136585499

IUPAC(3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCn1cc(NC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)ccc1=O
InChIInChI=1S/C16H24N4O2/c1-4-19-9-13(5-6-14(19)21)17-15(22)20-8-12-7-18(3)10-16(12,2)11-20/h5-6,9,12H,4,7-8,10-11H2,1-3H3,(H,17,22)/t12-,16+/m0/s1
InChIKeySJCJJGVQYXUDCH-BLLLJJGKSA-N
MW304.39 g/mol
LogP1.28
Rot. Bonds2

About (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

(3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 136585499) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID136585499
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCn1cc(NC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)ccc1=O
InChIInChI=1S/C16H24N4O2/c1-4-19-9-13(5-6-14(19)21)17-15(22)20-8-12-7-18(3)10-16(12,2)11-20/h5-6,9,12H,4,7-8,10-11H2,1-3H3,(H,17,22)/t12-,16+/m0/s1
InChIKeySJCJJGVQYXUDCH-BLLLJJGKSA-N
XLogP1.28
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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(3aS,6aR)-2,3a-dimethyl-N-(2-methyl-1,3-benzoxazol-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 154770403
1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 115437467
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CID 119723783
(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
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(3aS,6aS)-5-[(4-acetylphenyl)carbamoyl]-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50979570
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-3-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 166229588
N-(1-ethyl-6-oxo-3-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (CID 136585499) is (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is CCn1cc(NC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)ccc1=O.
What is the InChIKey of (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is SJCJJGVQYXUDCH-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-19-9-13(5-6-14(19)21)17-15(22)20-8-12-7-18(3)10-16(12,2)11-20/h5-6,9,12H,4,7-8,10-11H2,1-3H3,(H,17,22)/t12-,16+/m0/s1.
What are the key properties of (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
(3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-(1-ethyl-6-oxo-3-pyridinyl)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 136585499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).