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

C25H27N7O3S — CID 176666907

IUPACN-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
SMILESCN(C)CCNc1cccc(-c2ccc3cnc(CNC(=O)c4cncc(S(C)(=O)=O)c4)cc3n2)n1
InChIInChI=1S/C25H27N7O3S/c1-32(2)10-9-27-24-6-4-5-21(31-24)22-8-7-17-14-28-19(12-23(17)30-22)15-29-25(33)18-11-20(16-26-13-18)36(3,34)35/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,27,31)(H,29,33)
InChIKeyAUOQYESICBXJDT-UHFFFAOYSA-N
MW505.60 g/mol
LogP2.39
Rot. Bonds9

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

N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (PubChem CID 176666907) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
PubChem CID176666907
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC NameN-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
SMILESCN(C)CCNc1cccc(-c2ccc3cnc(CNC(=O)c4cncc(S(C)(=O)=O)c4)cc3n2)n1
InChIInChI=1S/C25H27N7O3S/c1-32(2)10-9-27-24-6-4-5-21(31-24)22-8-7-17-14-28-19(12-23(17)30-22)15-29-25(33)18-11-20(16-26-13-18)36(3,34)35/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,27,31)(H,29,33)
InChIKeyAUOQYESICBXJDT-UHFFFAOYSA-N
XLogP2.39
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666755
N-[[2-[6-(3-methoxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666832
3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen
CID 176666569
4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 176665328
6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide
CID 176666852
4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide
CID 170545018
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
3-chloro-N-[[2-[6-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-3-methyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylbenzamide
CID 176665930
N-[[2-[6-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-2,3-dimethyl-5-methylsulfonylbenzamide
CID 176665431
N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 54337128

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (CID 176666907) is N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is CN(C)CCNc1cccc(-c2ccc3cnc(CNC(=O)c4cncc(S(C)(=O)=O)c4)cc3n2)n1.
What is the InChIKey of N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
The InChIKey is AUOQYESICBXJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-32(2)10-9-27-24-6-4-5-21(31-24)22-8-7-17-14-28-19(12-23(17)30-22)15-29-25(33)18-11-20(16-26-13-18)36(3,34)35/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,27,31)(H,29,33).
What are the key properties of N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?
N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 176666907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).