4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide

C23H20N6O3S — CID 68606242

IUPAC4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3OC)c2C#N)ccn1
InChIInChI=1S/C23H20N6O3S/c1-27-22(30)18-8-13(6-7-28-18)12-33-23-17(11-25)20(16(10-24)21(26)29-23)15-5-4-14(31-2)9-19(15)32-3/h4-9H,12H2,1-3H3,(H2,26,29)(H,27,30)
InChIKeyKXKGESVADAZNSM-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.14
Rot. Bonds7

About 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide

4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide (PubChem CID 68606242) has the molecular formula C23H20N6O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
PubChem CID68606242
Molecular FormulaC23H20N6O3S
Molecular Weight460.52 g/mol
Exact Mass460.13
IUPAC Name4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3OC)c2C#N)ccn1
InChIInChI=1S/C23H20N6O3S/c1-27-22(30)18-8-13(6-7-28-18)12-33-23-17(11-25)20(16(10-24)21(26)29-23)15-5-4-14(31-2)9-19(15)32-3/h4-9H,12H2,1-3H3,(H2,26,29)(H,27,30)
InChIKeyKXKGESVADAZNSM-UHFFFAOYSA-N
XLogP3.14
TPSA146.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-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

4-[[6-amino-4-[4-(2-aminoethoxy)phenyl]-3,5-dicyano-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 56593480
4-[[6-amino-4-[4-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]phenyl]-3,5-dicyano-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 66633974
4-[[3,5-dicyano-4-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68047402
4-[[6-amino-3,5-dicyano-4-[3-(2-hydroxyethoxy)phenyl]-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68047404
4-[[6-amino-3,5-dicyano-4-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68597350
4-[[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68597393
4-[[6-amino-3,5-dicyano-4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68604809
4-[[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68606791
4-[[6-amino-3,5-dicyano-4-(3-propoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68611206
4-[[3,5-dicyano-6-(2-hydroxyethylamino)-4-(4-methoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68611797
4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-(4-methoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68614769
4-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68619112

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide (CID 68606242) is 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3OC)c2C#N)ccn1.
What is the InChIKey of 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is KXKGESVADAZNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S/c1-27-22(30)18-8-13(6-7-28-18)12-33-23-17(11-25)20(16(10-24)21(26)29-23)15-5-4-14(31-2)9-19(15)32-3/h4-9H,12H2,1-3H3,(H2,26,29)(H,27,30).
What are the key properties of 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide?
4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-3,5-dicyano-4-(2,4-dimethoxyphenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 68606242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).