N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine

C21H19N3O2S — CID 58235205

IUPACN-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCNc1ccc(C#Cc2c(-c3ccc(S(C)(=O)=O)cc3)ccnc2C)cn1
InChIInChI=1S/C21H19N3O2S/c1-15-19(10-4-16-5-11-21(22-2)24-14-16)20(12-13-23-15)17-6-8-18(9-7-17)27(3,25)26/h5-9,11-14H,1-3H3,(H,22,24)
InChIKeyLCVDFKDYWNKZHH-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.30
Rot. Bonds3

About N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine

N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine (PubChem CID 58235205) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine
PubChem CID58235205
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCNc1ccc(C#Cc2c(-c3ccc(S(C)(=O)=O)cc3)ccnc2C)cn1
InChIInChI=1S/C21H19N3O2S/c1-15-19(10-4-16-5-11-21(22-2)24-14-16)20(12-13-23-15)17-6-8-18(9-7-17)27(3,25)26/h5-9,11-14H,1-3H3,(H,22,24)
InChIKeyLCVDFKDYWNKZHH-UHFFFAOYSA-N
XLogP3.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine 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

Mmv-048
CID 53311393
N,4-dimethyl-3-(methylsulfonyl)-6-phenyl-2-pyridinamine
CID 1488750
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
Benzyl-{4-[2-(4-methanesulfonyl-phenyl)-4-m-tolyl-thiazol-5-yl]-pyridin-2-yl}-amine
CID 10142340
N-[4-[4-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]-N-(2-phenylethyl)amine
CID 10165183
N1-(7-(4-(methylthio)phenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10215165
3-(4-Methanesulfonyl-phenyl)-[2,3'']bipyridinyl
CID 44326499
5-(4-Methylsulfonylphenyl)-3-(3-pyridyl)pyridin-2-amine
CID 53311135
3-(2-Methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
5-(4-Methylsulfonylphenyl)-3-(6-pyrrolidin-1-yl-3-pyridyl)pyridin-2-amine
CID 53311306
5-(4-Methylsulfonylphenyl)-3-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-amine
CID 53311310

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine (CID 58235205) is N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine is CNc1ccc(C#Cc2c(-c3ccc(S(C)(=O)=O)cc3)ccnc2C)cn1.
What is the InChIKey of N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The InChIKey is LCVDFKDYWNKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15-19(10-4-16-5-11-21(22-2)24-14-16)20(12-13-23-15)17-6-8-18(9-7-17)27(3,25)26/h5-9,11-14H,1-3H3,(H,22,24).
What are the key properties of N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-[2-methyl-4-(4-methylsulfonylphenyl)-3-pyridinyl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58235205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).