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-methylpyridine-2-carboxamide

C24H28N6O2 — CID 166021938

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-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5)CC4C3)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O2/c1-3-16-7-21-22(28-23(16)31)6-15(8-26-21)10-29-11-17-13-30(14-18(17)12-29)19-4-5-20(27-9-19)24(32)25-2/h4-9,17-18H,3,10-14H2,1-2H3,(H,25,32)(H,28,31)
InChIKeySQDLSZSGNSLBEQ-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.81
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-methylpyridine-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-methylpyridine-2-carboxamide (PubChem CID 166021938) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 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-methylpyridine-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-methylpyridine-2-carboxamide
PubChem CID166021938
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
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-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5)CC4C3)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O2/c1-3-16-7-21-22(28-23(16)31)6-15(8-26-21)10-29-11-17-13-30(14-18(17)12-29)19-4-5-20(27-9-19)24(32)25-2/h4-9,17-18H,3,10-14H2,1-2H3,(H,25,32)(H,28,31)
InChIKeySQDLSZSGNSLBEQ-UHFFFAOYSA-N
XLogP1.81
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.81
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-methylpyridine-2-carboxamide with MolForge

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Related Compounds

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CID 44513219
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5-[6-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
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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-methylpyridine-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-methylpyridine-2-carboxamide (CID 166021938) 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-methylpyridine-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-methylpyridine-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-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC4CN(c5ccc(C(=O)NC)nc5)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-methylpyridine-2-carboxamide?
The InChIKey is SQDLSZSGNSLBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-16-7-21-22(28-23(16)31)6-15(8-26-21)10-29-11-17-13-30(14-18(17)12-29)19-4-5-20(27-9-19)24(32)25-2/h4-9,17-18H,3,10-14H2,1-2H3,(H,25,32)(H,28,31).
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-methylpyridine-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-methylpyridine-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 1.81, 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-methylpyridine-2-carboxamide is sourced from PubChem (CID 166021938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).