6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide

C15H20N4O2 — CID 154499629

IUPAC6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide
SMILESNC(=O)C1CC2CCN(C(=O)Nc3ccccc3)CC2N1
InChIInChI=1S/C15H20N4O2/c16-14(20)12-8-10-6-7-19(9-13(10)18-12)15(21)17-11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H2,16,20)(H,17,21)
InChIKeyVFTZDCWOPPGLDE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.76
Rot. Bonds2

About 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide

6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide (PubChem CID 154499629) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide
PubChem CID154499629
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide
SMILESNC(=O)C1CC2CCN(C(=O)Nc3ccccc3)CC2N1
InChIInChI=1S/C15H20N4O2/c16-14(20)12-8-10-6-7-19(9-13(10)18-12)15(21)17-11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H2,16,20)(H,17,21)
InChIKeyVFTZDCWOPPGLDE-UHFFFAOYSA-N
XLogP0.76
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

N-[1-(phenylcarbamoyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276912
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
benzyl (2R,3aS,7aR)-6-(methylcarbamoyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2-carboxylate
CID 99941060
4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
CID 77038685
N-[4-(azepane-1-carbonylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119310674
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
N-[4-(phenylcarbamoylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277181
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762

Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide (CID 154499629) is 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide is NC(=O)C1CC2CCN(C(=O)Nc3ccccc3)CC2N1.
What is the InChIKey of 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide?
The InChIKey is VFTZDCWOPPGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-14(20)12-8-10-6-7-19(9-13(10)18-12)15(21)17-11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H2,16,20)(H,17,21).
What are the key properties of 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide?
6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 154499629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).