N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide

C17H17N5OS — CID 172630072

IUPACN-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide
SMILESCn1cc(-c2cc(NC(=O)Cc3ccccn3)cc(SN)c2)cn1
InChIInChI=1S/C17H17N5OS/c1-22-11-13(10-20-22)12-6-15(8-16(7-12)24-18)21-17(23)9-14-4-2-3-5-19-14/h2-8,10-11H,9,18H2,1H3,(H,21,23)
InChIKeyMIIXBLKEPYQSIQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.63
Rot. Bonds5

About N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide

N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide (PubChem CID 172630072) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide
PubChem CID172630072
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide
SMILESCn1cc(-c2cc(NC(=O)Cc3ccccn3)cc(SN)c2)cn1
InChIInChI=1S/C17H17N5OS/c1-22-11-13(10-20-22)12-6-15(8-16(7-12)24-18)21-17(23)9-14-4-2-3-5-19-14/h2-8,10-11H,9,18H2,1H3,(H,21,23)
InChIKeyMIIXBLKEPYQSIQ-UHFFFAOYSA-N
XLogP2.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 172630085
N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 172630069
N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-(2-chlorophenyl)-2,2-difluoroacetamide
CID 172630073
N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-1-fluorocyclohexane-1-carboxamide
CID 172630040
2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide
CID 172629982
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
CID 110479939
N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233579
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
N-(9H-carbazol-2-yl)-2-pyridin-2-ylacetamide
CID 91043335

Frequently Asked Questions

What is the IUPAC name of N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide (CID 172630072) is N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide is Cn1cc(-c2cc(NC(=O)Cc3ccccn3)cc(SN)c2)cn1.
What is the InChIKey of N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide?
The InChIKey is MIIXBLKEPYQSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-22-11-13(10-20-22)12-6-15(8-16(7-12)24-18)21-17(23)9-14-4-2-3-5-19-14/h2-8,10-11H,9,18H2,1H3,(H,21,23).
What are the key properties of N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide?
N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-aminosulfanyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 172630072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).