N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

C14H12ClN5OS — CID 2998556

IUPACN-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccccn12)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN5OS/c1-9(13(21)17-11-6-5-10(15)8-16-11)22-14-19-18-12-4-2-3-7-20(12)14/h2-9H,1H3,(H,16,17,21)
InChIKeyWKOKCSYVTIAOEA-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.90
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide (PubChem CID 2998556) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
PubChem CID2998556
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccccn12)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClN5OS/c1-9(13(21)17-11-6-5-10(15)8-16-11)22-14-19-18-12-4-2-3-7-20(12)14/h2-9H,1H3,(H,16,17,21)
InChIKeyWKOKCSYVTIAOEA-UHFFFAOYSA-N
XLogP2.90
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide (CID 2998556) is N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide is CC(Sc1nnc2ccccn12)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The InChIKey is WKOKCSYVTIAOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c1-9(13(21)17-11-6-5-10(15)8-16-11)22-14-19-18-12-4-2-3-7-20(12)14/h2-9H,1H3,(H,16,17,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide has a molecular weight of 333.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide is sourced from PubChem (CID 2998556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).