5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide

C25H30N6O2 — CID 171445025

IUPAC5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5C)CC4C3)cc2[nH]c1=O
InChIInChI=1S/C25H30N6O2/c1-4-17-8-21-22(29-24(17)32)7-16(9-27-21)10-30-11-18-13-31(14-19(18)12-30)23-6-5-20(25(33)26-3)28-15(23)2/h5-9,18-19H,4,10-14H2,1-3H3,(H,26,33)(H,29,32)
InChIKeyAGLPFIVUQRKCPL-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.12
Rot. Bonds5

About 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide

5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 171445025) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID171445025
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5C)CC4C3)cc2[nH]c1=O
InChIInChI=1S/C25H30N6O2/c1-4-17-8-21-22(29-24(17)32)7-16(9-27-21)10-30-11-18-13-31(14-19(18)12-30)23-6-5-20(25(33)26-3)28-15(23)2/h5-9,18-19H,4,10-14H2,1-3H3,(H,26,33)(H,29,32)
InChIKeyAGLPFIVUQRKCPL-UHFFFAOYSA-N
XLogP2.12
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171444918
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide
CID 171444980
5-[8-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171445034
13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
CID 166138953
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 175473204
5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 171487955
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[6-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 171444924
5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
N,6-dimethyl-5-[4-[(6-oxo-7,9-dihydro-5H-furo[3,4-c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572872
6-methyl-5-[4-[(3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850852

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide (CID 171445025) is 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5C)CC4C3)cc2[nH]c1=O.
What is the InChIKey of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is AGLPFIVUQRKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-4-17-8-21-22(29-24(17)32)7-16(9-27-21)10-30-11-18-13-31(14-19(18)12-30)23-6-5-20(25(33)26-3)28-15(23)2/h5-9,18-19H,4,10-14H2,1-3H3,(H,26,33)(H,29,32).
What are the key properties of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 171445025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).