N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine

C17H15ClN4S — CID 166716880

IUPACN-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1-c1nc(NSc2ccc(N)nc2)ccc1Cl
InChIInChI=1S/C17H15ClN4S/c1-11-4-2-3-5-13(11)17-14(18)7-9-16(21-17)22-23-12-6-8-15(19)20-10-12/h2-10H,1H3,(H2,19,20)(H,21,22)
InChIKeyLKOAUFITMKEPJE-UHFFFAOYSA-N
MW342.86 g/mol
LogP4.81
Rot. Bonds4

About N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine

N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine (PubChem CID 166716880) has the molecular formula C17H15ClN4S and a molecular weight of 342.86 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine
PubChem CID166716880
Molecular FormulaC17H15ClN4S
Molecular Weight342.86 g/mol
Exact Mass342.07
IUPAC NameN-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1-c1nc(NSc2ccc(N)nc2)ccc1Cl
InChIInChI=1S/C17H15ClN4S/c1-11-4-2-3-5-13(11)17-14(18)7-9-16(21-17)22-23-12-6-8-15(19)20-10-12/h2-10H,1H3,(H2,19,20)(H,21,22)
InChIKeyLKOAUFITMKEPJE-UHFFFAOYSA-N
XLogP4.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
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 N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine (CID 166716880) is N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine is Cc1ccccc1-c1nc(NSc2ccc(N)nc2)ccc1Cl.
What is the InChIKey of N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine?
The InChIKey is LKOAUFITMKEPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4S/c1-11-4-2-3-5-13(11)17-14(18)7-9-16(21-17)22-23-12-6-8-15(19)20-10-12/h2-10H,1H3,(H2,19,20)(H,21,22).
What are the key properties of N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine?
N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine has a molecular weight of 342.86 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 166716880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).