4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile

C12H10N4S — CID 63881760

IUPAC4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ccc(N)nc2)ccn1
InChIInChI=1S/C12H10N4S/c13-6-10-5-9(3-4-15-10)8-17-11-1-2-12(14)16-7-11/h1-5,7H,8H2,(H2,14,16)
InChIKeyCNZOTSSDAIDDSG-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.22
Rot. Bonds3

About 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile

4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile (PubChem CID 63881760) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
PubChem CID63881760
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ccc(N)nc2)ccn1
InChIInChI=1S/C12H10N4S/c13-6-10-5-9(3-4-15-10)8-17-11-1-2-12(14)16-7-11/h1-5,7H,8H2,(H2,14,16)
InChIKeyCNZOTSSDAIDDSG-UHFFFAOYSA-N
XLogP2.22
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile (CID 63881760) is 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile is N#Cc1cc(CSc2ccc(N)nc2)ccn1.
What is the InChIKey of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
The InChIKey is CNZOTSSDAIDDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-6-10-5-9(3-4-15-10)8-17-11-1-2-12(14)16-7-11/h1-5,7H,8H2,(H2,14,16).
What are the key properties of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile has a molecular weight of 242.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).