2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide

C22H24N4O3S — CID 10836089

IUPAC2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CSc2ncccc2C(=O)Nc2ccnc(N(C)C)c2)c(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-26(2)20-12-16(9-11-23-20)25-21(27)18-6-5-10-24-22(18)30-14-15-7-8-17(28-3)13-19(15)29-4/h5-13H,14H2,1-4H3,(H,23,25,27)
InChIKeyKHRIYGLZSIACAX-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.10
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide

2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 10836089) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID10836089
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CSc2ncccc2C(=O)Nc2ccnc(N(C)C)c2)c(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-26(2)20-12-16(9-11-23-20)25-21(27)18-6-5-10-24-22(18)30-14-15-7-8-17(28-3)13-19(15)29-4/h5-13H,14H2,1-4H3,(H,23,25,27)
InChIKeyKHRIYGLZSIACAX-UHFFFAOYSA-N
XLogP4.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-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

2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide
CID 10717873
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(4-oxopiperidin-1-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 139795793
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(dimethylamino)-N-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 10506230
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide
CID 10574297
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3375303
2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 67160270
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349
2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 139694481
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 43009912
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide
CID 139795779
2-[(2,4-diethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 10688093

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide (CID 10836089) is 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide is COc1ccc(CSc2ncccc2C(=O)Nc2ccnc(N(C)C)c2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is KHRIYGLZSIACAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-26(2)20-12-16(9-11-23-20)25-21(27)18-6-5-10-24-22(18)30-14-15-7-8-17(28-3)13-19(15)29-4/h5-13H,14H2,1-4H3,(H,23,25,27).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide?
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 10836089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).