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

C19H17ClN4S — CID 166716684

IUPACN-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine
SMILESNc1ccc(SNc2ccc(Cl)c(-c3ccccc3C3CC3)n2)cn1
InChIInChI=1S/C19H17ClN4S/c20-16-8-10-18(24-25-13-7-9-17(21)22-11-13)23-19(16)15-4-2-1-3-14(15)12-5-6-12/h1-4,7-12H,5-6H2,(H2,21,22)(H,23,24)
InChIKeyVHKKNESCZQTLFN-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.38
Rot. Bonds5

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

N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine (PubChem CID 166716684) has the molecular formula C19H17ClN4S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine
PubChem CID166716684
Molecular FormulaC19H17ClN4S
Molecular Weight368.89 g/mol
Exact Mass368.09
IUPAC NameN-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine
SMILESNc1ccc(SNc2ccc(Cl)c(-c3ccccc3C3CC3)n2)cn1
InChIInChI=1S/C19H17ClN4S/c20-16-8-10-18(24-25-13-7-9-17(21)22-11-13)23-19(16)15-4-2-1-3-14(15)12-5-6-12/h1-4,7-12H,5-6H2,(H2,21,22)(H,23,24)
InChIKeyVHKKNESCZQTLFN-UHFFFAOYSA-N
XLogP5.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.38
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-cyclopropylphenyl)pyridin-2-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine (CID 166716684) is N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine is Nc1ccc(SNc2ccc(Cl)c(-c3ccccc3C3CC3)n2)cn1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine?
The InChIKey is VHKKNESCZQTLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4S/c20-16-8-10-18(24-25-13-7-9-17(21)22-11-13)23-19(16)15-4-2-1-3-14(15)12-5-6-12/h1-4,7-12H,5-6H2,(H2,21,22)(H,23,24).
What are the key properties of N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine?
N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine has a molecular weight of 368.89 g/mol, XLogP of 5.38, 5 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-cyclopropylphenyl)pyridin-2-amine is sourced from PubChem (CID 166716684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).