2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine

C42H36FN7O — CID 157091105

IUPAC2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine
SMILESCOc1cccc(C#Cc2nc(C)ccc2N)c1.Cc1ccc(N)c(C#Cc2cccc(F)c2)n1.Cc1ccc(N)c(C#Cc2cccnc2)n1
InChIInChI=1S/C15H14N2O.C14H11FN2.C13H11N3/c1-11-6-8-14(16)15(17-11)9-7-12-4-3-5-13(10-12)18-2;1-10-5-7-13(16)14(17-10)8-6-11-3-2-4-12(15)9-11;1-10-4-6-12(14)13(16-10)7-5-11-3-2-8-15-9-11/h3-6,8,10H,16H2,1-2H3;2-5,7,9H,16H2,1H3;2-4,6,8-9H,14H2,1H3
InChIKeyAERDTTOJAJGRJY-UHFFFAOYSA-N
MW673.80 g/mol
LogP6.66
Rot. Bonds1

About 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine

2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine (PubChem CID 157091105) has the molecular formula C42H36FN7O and a molecular weight of 673.80 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine
PubChem CID157091105
Molecular FormulaC42H36FN7O
Molecular Weight673.80 g/mol
Exact Mass673.30
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine
SMILESCOc1cccc(C#Cc2nc(C)ccc2N)c1.Cc1ccc(N)c(C#Cc2cccc(F)c2)n1.Cc1ccc(N)c(C#Cc2cccnc2)n1
InChIInChI=1S/C15H14N2O.C14H11FN2.C13H11N3/c1-11-6-8-14(16)15(17-11)9-7-12-4-3-5-13(10-12)18-2;1-10-5-7-13(16)14(17-10)8-6-11-3-2-4-12(15)9-11;1-10-4-6-12(14)13(16-10)7-5-11-3-2-8-15-9-11/h3-6,8,10H,16H2,1-2H3;2-5,7,9H,16H2,1H3;2-4,6,8-9H,14H2,1H3
InChIKeyAERDTTOJAJGRJY-UHFFFAOYSA-N
XLogP6.66
TPSA138.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.80
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-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

2-(3-Methoxyphenyl)-4-phenyl-1,5-naphthyridine
CID 145954110
2-(6-Fluoro-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-4-(6-methoxy-3-pyridinyl)pyridine
CID 138963270
1,1'-(5-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}-1,3-phenylene)bis[N,N-bis(pyridin-2-ylmethyl)methanamine]
CID 25126081
N,1-bis[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 18174114
N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 18174140
N,1-bis[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 18174160
N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 18174230
N,1-bis[[2-(3,4-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 18174274
6-(2-Fluoro-5-methoxyphenyl)-4-methylpyridin-3-amine
CID 58415871
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine
CID 58521645
5,7-difluoro-N-(2-(2-methoxyphenyl)-3-pyridinyl)-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 59631332
N-(5,7-difluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-5'-fluoro-2'-methoxy-3,4'-bipyridin-5-amine
CID 59631426

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine (CID 157091105) is 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine is COc1cccc(C#Cc2nc(C)ccc2N)c1.Cc1ccc(N)c(C#Cc2cccc(F)c2)n1.Cc1ccc(N)c(C#Cc2cccnc2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine?
The InChIKey is AERDTTOJAJGRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C14H11FN2.C13H11N3/c1-11-6-8-14(16)15(17-11)9-7-12-4-3-5-13(10-12)18-2;1-10-5-7-13(16)14(17-10)8-6-11-3-2-4-12(15)9-11;1-10-4-6-12(14)13(16-10)7-5-11-3-2-8-15-9-11/h3-6,8,10H,16H2,1-2H3;2-5,7,9H,16H2,1H3;2-4,6,8-9H,14H2,1H3.
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine?
2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine has a molecular weight of 673.80 g/mol, XLogP of 6.66, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethynyl]-6-methylpyridin-3-amine;2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridin-3-amine;6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine is sourced from PubChem (CID 157091105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).