2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile

C15H12N4S — CID 43299742

IUPAC2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CSc2ccncc2N)cn2ccccc12
InChIInChI=1S/C15H12N4S/c16-7-12-11(9-19-6-2-1-3-14(12)19)10-20-15-4-5-18-8-13(15)17/h1-6,8-9H,10,17H2
InChIKeyUTQATZDRJKXCLY-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.08
Rot. Bonds3

About 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile

2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile (PubChem CID 43299742) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile
PubChem CID43299742
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CSc2ccncc2N)cn2ccccc12
InChIInChI=1S/C15H12N4S/c16-7-12-11(9-19-6-2-1-3-14(12)19)10-20-15-4-5-18-8-13(15)17/h1-6,8-9H,10,17H2
InChIKeyUTQATZDRJKXCLY-UHFFFAOYSA-N
XLogP3.08
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile (CID 43299742) is 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile is N#Cc1c(CSc2ccncc2N)cn2ccccc12.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile?
The InChIKey is UTQATZDRJKXCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c16-7-12-11(9-19-6-2-1-3-14(12)19)10-20-15-4-5-18-8-13(15)17/h1-6,8-9H,10,17H2.
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile?
2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile has a molecular weight of 280.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile is sourced from PubChem (CID 43299742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).