2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide

C15H29N3O — CID 102682327

IUPAC2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CC2CCCNC2C1
InChIInChI=1S/C15H29N3O/c1-4-6-11(2)17-15(19)12(3)18-9-13-7-5-8-16-14(13)10-18/h11-14,16H,4-10H2,1-3H3,(H,17,19)
InChIKeySRVGFLIRIZSHTK-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.36
Rot. Bonds5

About 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide (PubChem CID 102682327) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide
PubChem CID102682327
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CC2CCCNC2C1
InChIInChI=1S/C15H29N3O/c1-4-6-11(2)17-15(19)12(3)18-9-13-7-5-8-16-14(13)10-18/h11-14,16H,4-10H2,1-3H3,(H,17,19)
InChIKeySRVGFLIRIZSHTK-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide with MolForge

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Related Compounds

2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-cyclopropylpropanamide
CID 102683108
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 102682398
ethyl 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propanoate
CID 102682663
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide
CID 102682591
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-carbamoylpropanamide
CID 102681960
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-prop-2-enylpropanamide
CID 102682857
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-pentan-2-ylacetamide
CID 102682853
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-phenylpropanamide
CID 102683231
ethyl 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pentanoate
CID 102682205
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
CID 64850648
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
2-(4-acetylpiperidin-1-yl)-N-pentan-2-ylpropanamide
CID 63845307

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide (CID 102682327) is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N1CC2CCCNC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide?
The InChIKey is SRVGFLIRIZSHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-6-11(2)17-15(19)12(3)18-9-13-7-5-8-16-14(13)10-18/h11-14,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide?
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide has a molecular weight of 267.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 102682327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).