3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

C17H13N9OS2 — CID 142939879

IUPAC3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESNc1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2cnccn2)cn1
InChIInChI=1S/C17H13N9OS2/c18-12-3-1-10(7-21-12)28-11-2-4-14(29-17-22-9-23-26-17)25-15(11)16(27)24-13-8-19-5-6-20-13/h1-9H,(H2,18,21)(H,20,24,27)(H,22,23,26)
InChIKeyOJBPAWTZHHTEJJ-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.52
Rot. Bonds6

About 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 142939879) has the molecular formula C17H13N9OS2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID142939879
Molecular FormulaC17H13N9OS2
Molecular Weight423.49 g/mol
Exact Mass423.07
IUPAC Name3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESNc1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2cnccn2)cn1
InChIInChI=1S/C17H13N9OS2/c18-12-3-1-10(7-21-12)28-11-2-4-14(29-17-22-9-23-26-17)25-15(11)16(27)24-13-8-19-5-6-20-13/h1-9H,(H2,18,21)(H,20,24,27)(H,22,23,26)
InChIKeyOJBPAWTZHHTEJJ-UHFFFAOYSA-N
XLogP2.52
TPSA148.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 142939879) is 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is Nc1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2cnccn2)cn1.
What is the InChIKey of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is OJBPAWTZHHTEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N9OS2/c18-12-3-1-10(7-21-12)28-11-2-4-14(29-17-22-9-23-26-17)25-15(11)16(27)24-13-8-19-5-6-20-13/h1-9H,(H2,18,21)(H,20,24,27)(H,22,23,26).
What are the key properties of 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 142939879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).