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

C12H10N4S — CID 62894086

IUPAC3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSc1ccncc1N
InChIInChI=1S/C12H10N4S/c13-6-11-9(2-1-4-16-11)8-17-12-3-5-15-7-10(12)14/h1-5,7H,8,14H2
InChIKeyUHBPZPGMDWFDAH-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.22
Rot. Bonds3

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

3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile (PubChem CID 62894086) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
PubChem CID62894086
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSc1ccncc1N
InChIInChI=1S/C12H10N4S/c13-6-11-9(2-1-4-16-11)8-17-12-3-5-15-7-10(12)14/h1-5,7H,8,14H2
InChIKeyUHBPZPGMDWFDAH-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 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile (CID 62894086) is 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile is N#Cc1ncccc1CSc1ccncc1N.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
The InChIKey is UHBPZPGMDWFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-6-11-9(2-1-4-16-11)8-17-12-3-5-15-7-10(12)14/h1-5,7H,8,14H2.
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile?
3-[(3-amino-4-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 3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).