2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine

C19H20N4S — CID 144889411

IUPAC2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine
SMILESCc1cc(-c2cnc(C)c(NSN(C)c3ccccc3)c2)ccn1
InChIInChI=1S/C19H20N4S/c1-14-11-16(9-10-20-14)17-12-19(15(2)21-13-17)22-24-23(3)18-7-5-4-6-8-18/h4-13,22H,1-3H3
InChIKeyGZASZWKNGMNBJR-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.87
Rot. Bonds5

About 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine

2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine (PubChem CID 144889411) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine
PubChem CID144889411
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine
SMILESCc1cc(-c2cnc(C)c(NSN(C)c3ccccc3)c2)ccn1
InChIInChI=1S/C19H20N4S/c1-14-11-16(9-10-20-14)17-12-19(15(2)21-13-17)22-24-23(3)18-7-5-4-6-8-18/h4-13,22H,1-3H3
InChIKeyGZASZWKNGMNBJR-UHFFFAOYSA-N
XLogP4.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine?
The IUPAC name of 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine (CID 144889411) is 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine?
The canonical SMILES for 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine is Cc1cc(-c2cnc(C)c(NSN(C)c3ccccc3)c2)ccn1.
What is the InChIKey of 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine?
The InChIKey is GZASZWKNGMNBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-14-11-16(9-10-20-14)17-12-19(15(2)21-13-17)22-24-23(3)18-7-5-4-6-8-18/h4-13,22H,1-3H3.
What are the key properties of 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine?
2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine has a molecular weight of 336.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(N-methylanilino)sulfanyl-5-(2-methyl-4-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 144889411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).