N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide

C19H16N6O — CID 16668027

IUPACN-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide
SMILESO=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cccc2cccnc12
InChIInChI=1S/C19H16N6O/c26-19(15-7-1-4-13-5-3-10-21-17(13)15)22-11-8-16-23-18(25-24-16)14-6-2-9-20-12-14/h1-7,9-10,12H,8,11H2,(H,22,26)(H,23,24,25)
InChIKeyVIVNKFMEGGQZIE-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide

N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide (PubChem CID 16668027) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide
PubChem CID16668027
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide
SMILESO=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cccc2cccnc12
InChIInChI=1S/C19H16N6O/c26-19(15-7-1-4-13-5-3-10-21-17(13)15)22-11-8-16-23-18(25-24-16)14-6-2-9-20-12-14/h1-7,9-10,12H,8,11H2,(H,22,26)(H,23,24,25)
InChIKeyVIVNKFMEGGQZIE-UHFFFAOYSA-N
XLogP2.39
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide (CID 16668027) is N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide is O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cccc2cccnc12.
What is the InChIKey of N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
The InChIKey is VIVNKFMEGGQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(15-7-1-4-13-5-3-10-21-17(13)15)22-11-8-16-23-18(25-24-16)14-6-2-9-20-12-14/h1-7,9-10,12H,8,11H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 16668027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).