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

C15H22N4O — CID 102683782

IUPAC4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2C[C@@H]3CCCN[C@@H]3C2)ccn1
InChIInChI=1S/C15H22N4O/c1-2-16-15(20)13-8-12(5-7-18-13)19-9-11-4-3-6-17-14(11)10-19/h5,7-8,11,14,17H,2-4,6,9-10H2,1H3,(H,16,20)/t11-,14+/m0/s1
InChIKeyKXCACDVOYFQSIK-SMDDNHRTSA-N
MW274.37 g/mol
LogP1.02
Rot. Bonds3

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

4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 102683782) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide
PubChem CID102683782
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2C[C@@H]3CCCN[C@@H]3C2)ccn1
InChIInChI=1S/C15H22N4O/c1-2-16-15(20)13-8-12(5-7-18-13)19-9-11-4-3-6-17-14(11)10-19/h5,7-8,11,14,17H,2-4,6,9-10H2,1H3,(H,16,20)/t11-,14+/m0/s1
InChIKeyKXCACDVOYFQSIK-SMDDNHRTSA-N
XLogP1.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-2-carboxylate
CID 102683433
N-ethyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-2-carboxamide
CID 62275462
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
N-ethyl-4-[(2-methylpiperidin-3-yl)amino]pyridine-2-carboxamide
CID 114695697
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate
CID 66285504
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
4-(2,5-diethylpiperazin-1-yl)-N-ethylpyridine-2-carboxamide
CID 64979161
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 55033632

Frequently Asked Questions

What is the IUPAC name of 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide (CID 102683782) is 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N2C[C@@H]3CCCN[C@@H]3C2)ccn1.
What is the InChIKey of 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide?
The InChIKey is KXCACDVOYFQSIK-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-16-15(20)13-8-12(5-7-18-13)19-9-11-4-3-6-17-14(11)10-19/h5,7-8,11,14,17H,2-4,6,9-10H2,1H3,(H,16,20)/t11-,14+/m0/s1.
What are the key properties of 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide?
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 102683782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).