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N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide

C26H26N6O4S — CID 176666755

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
SMILESCC1(O)CCN(c2cccc(-c3ccc4cnc(CNC(=O)c5cncc(S(C)(=O)=O)c5)cc4n3)n2)C1
InChIInChI=1S/C26H26N6O4S/c1-26(34)8-9-32(16-26)24-5-3-4-21(31-24)22-7-6-17-13-28-19(11-23(17)30-22)14-29-25(33)18-10-20(15-27-12-18)37(2,35)36/h3-7,10-13,15,34H,8-9,14,16H2,1-2H3,(H,29,33)
InChIKeyOJRPPGYFLAZIQW-UHFFFAOYSA-N
MW518.60 g/mol
LogP2.38
Rot. Bonds6

About N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide

N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (PubChem CID 176666755) has the molecular formula C26H26N6O4S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
PubChem CID176666755
Molecular FormulaC26H26N6O4S
Molecular Weight518.60 g/mol
Exact Mass518.17
IUPAC NameN-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
SMILESCC1(O)CCN(c2cccc(-c3ccc4cnc(CNC(=O)c5cncc(S(C)(=O)=O)c5)cc4n3)n2)C1
InChIInChI=1S/C26H26N6O4S/c1-26(34)8-9-32(16-26)24-5-3-4-21(31-24)22-7-6-17-13-28-19(11-23(17)30-22)14-29-25(33)18-10-20(15-27-12-18)37(2,35)36/h3-7,10-13,15,34H,8-9,14,16H2,1-2H3,(H,29,33)
InChIKeyOJRPPGYFLAZIQW-UHFFFAOYSA-N
XLogP2.38
TPSA138.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (CID 176666755) is N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is CC1(O)CCN(c2cccc(-c3ccc4cnc(CNC(=O)c5cncc(S(C)(=O)=O)c5)cc4n3)n2)C1.
What is the InChIKey of N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The InChIKey is OJRPPGYFLAZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4S/c1-26(34)8-9-32(16-26)24-5-3-4-21(31-24)22-7-6-17-13-28-19(11-23(17)30-22)14-29-25(33)18-10-20(15-27-12-18)37(2,35)36/h3-7,10-13,15,34H,8-9,14,16H2,1-2H3,(H,29,33).
What are the key properties of N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide has a molecular weight of 518.60 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 176666755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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