2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

C16H15N5OS — CID 8892502

IUPAC2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccccn1
InChIInChI=1S/C16H15N5OS/c1-23-16-13(6-4-9-18-16)15(22)20-14-7-10-19-21(14)11-12-5-2-3-8-17-12/h2-10H,11H2,1H3,(H,20,22)
InChIKeyWNNSDMVENIPNKJ-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.70
Rot. Bonds5

About 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 8892502) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID8892502
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccccn1
InChIInChI=1S/C16H15N5OS/c1-23-16-13(6-4-9-18-16)15(22)20-14-7-10-19-21(14)11-12-5-2-3-8-17-12/h2-10H,11H2,1H3,(H,20,22)
InChIKeyWNNSDMVENIPNKJ-UHFFFAOYSA-N
XLogP2.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 8892502) is 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccnn1Cc1ccccn1.
What is the InChIKey of 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is WNNSDMVENIPNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-23-16-13(6-4-9-18-16)15(22)20-14-7-10-19-21(14)11-12-5-2-3-8-17-12/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8892502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).