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

C24H28N6O2 — CID 171444924

IUPAC5-[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
SMILESCCc1cc2cnc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3C)C4)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O2/c1-4-16-7-17-9-26-18(8-20(17)28-22(16)31)10-29-11-24(12-29)13-30(14-24)21-6-5-19(23(32)25-3)27-15(21)2/h5-9H,4,10-14H2,1-3H3,(H,25,32)(H,28,31)
InChIKeyAPEXYJFGBREXAI-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.87
Rot. Bonds5

About 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

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 (PubChem CID 171444924) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID171444924
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name5-[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
SMILESCCc1cc2cnc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3C)C4)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O2/c1-4-16-7-17-9-26-18(8-20(17)28-22(16)31)10-29-11-24(12-29)13-30(14-24)21-6-5-19(23(32)25-3)27-15(21)2/h5-9H,4,10-14H2,1-3H3,(H,25,32)(H,28,31)
InChIKeyAPEXYJFGBREXAI-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc2cnc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3C)C4)cc2[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is APEXYJFGBREXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-16-7-17-9-26-18(8-20(17)28-22(16)31)10-29-11-24(12-29)13-30(14-24)21-6-5-19(23(32)25-3)27-15(21)2/h5-9H,4,10-14H2,1-3H3,(H,25,32)(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 432.53 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171444924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).