4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide

C15H22N4O — CID 102683662

IUPAC4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N2CC3CCCNC3C2)c(C(N)=O)c(C)n1
InChIInChI=1S/C15H22N4O/c1-9-6-13(14(15(16)20)10(2)18-9)19-7-11-4-3-5-17-12(11)8-19/h6,11-12,17H,3-5,7-8H2,1-2H3,(H2,16,20)
InChIKeyLVRHXEQHYIHBEN-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.99
Rot. Bonds2

About 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide

4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 102683662) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID102683662
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N2CC3CCCNC3C2)c(C(N)=O)c(C)n1
InChIInChI=1S/C15H22N4O/c1-9-6-13(14(15(16)20)10(2)18-9)19-7-11-4-3-5-17-12(11)8-19/h6,11-12,17H,3-5,7-8H2,1-2H3,(H2,16,20)
InChIKeyLVRHXEQHYIHBEN-UHFFFAOYSA-N
XLogP0.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-methylbenzamide
CID 102683494
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-chlorobenzamide
CID 102683731
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-methylpyrimidine-4-carbonitrile
CID 107552749
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-3-carboxamide
CID 102683347
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-5-methyl-1H-pyridazin-6-one
CID 158094764
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide
CID 81052090
4-[2-(aminomethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxamide
CID 81051866
4-[2-(aminomethyl)morpholin-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 114399300
methyl 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-2-carboxylate
CID 102683433
5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 114893891
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 81050331

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide (CID 102683662) is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1cc(N2CC3CCCNC3C2)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is LVRHXEQHYIHBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9-6-13(14(15(16)20)10(2)18-9)19-7-11-4-3-5-17-12(11)8-19/h6,11-12,17H,3-5,7-8H2,1-2H3,(H2,16,20).
What are the key properties of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide?
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 102683662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).