[2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate

C19H17N3O2S — CID 146301782

IUPAC[2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate
SMILESNC(=O)Oc1ccc(SCc2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C19H17N3O2S/c20-18-16(24-19(21)23)10-11-17(22-18)25-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H2,20,22)(H2,21,23)
InChIKeyQCQRSAXECUXLLZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.08
Rot. Bonds5

About [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate

[2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate (PubChem CID 146301782) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate
PubChem CID146301782
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name[2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate
SMILESNC(=O)Oc1ccc(SCc2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C19H17N3O2S/c20-18-16(24-19(21)23)10-11-17(22-18)25-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H2,20,22)(H2,21,23)
InChIKeyQCQRSAXECUXLLZ-UHFFFAOYSA-N
XLogP4.08
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate?
The IUPAC name of [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate (CID 146301782) is [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate.
What is the SMILES notation for [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate?
The canonical SMILES for [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate is NC(=O)Oc1ccc(SCc2ccc(-c3ccccc3)cc2)nc1N.
What is the InChIKey of [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate?
The InChIKey is QCQRSAXECUXLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c20-18-16(24-19(21)23)10-11-17(22-18)25-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H2,20,22)(H2,21,23).
What are the key properties of [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate?
[2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate has a molecular weight of 351.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[(4-phenylphenyl)methylsulfanyl]-3-pyridinyl] carbamate is sourced from PubChem (CID 146301782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).