3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C18H16N6O — CID 47037790

IUPAC3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6O/c25-16(9-8-12-11-20-14-6-2-1-5-13(12)14)21-18-22-17(23-24-18)15-7-3-4-10-19-15/h1-7,10-11,20H,8-9H2,(H2,21,22,23,24,25)
InChIKeyLROGMTUTBSSKQG-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.92
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 47037790) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID47037790
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6O/c25-16(9-8-12-11-20-14-6-2-1-5-13(12)14)21-18-22-17(23-24-18)15-7-3-4-10-19-15/h1-7,10-11,20H,8-9H2,(H2,21,22,23,24,25)
InChIKeyLROGMTUTBSSKQG-UHFFFAOYSA-N
XLogP2.92
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 47037790) is 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is LROGMTUTBSSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-16(9-8-12-11-20-14-6-2-1-5-13(12)14)21-18-22-17(23-24-18)15-7-3-4-10-19-15/h1-7,10-11,20H,8-9H2,(H2,21,22,23,24,25).
What are the key properties of 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 332.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 47037790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).