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

C19H16N6O — CID 16674357

IUPACN-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)n[nH]1)c1cccc2cccnc12
InChIInChI=1S/C19H16N6O/c26-19(15-5-1-3-13-4-2-9-21-17(13)15)22-12-8-16-23-18(25-24-16)14-6-10-20-11-7-14/h1-7,9-11H,8,12H2,(H,22,26)(H,23,24,25)
InChIKeyNJHDKTASROBYIP-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.39
Rot. Bonds5

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

N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide (PubChem CID 16674357) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide
PubChem CID16674357
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)n[nH]1)c1cccc2cccnc12
InChIInChI=1S/C19H16N6O/c26-19(15-5-1-3-13-4-2-9-21-17(13)15)22-12-8-16-23-18(25-24-16)14-6-10-20-11-7-14/h1-7,9-11H,8,12H2,(H,22,26)(H,23,24,25)
InChIKeyNJHDKTASROBYIP-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide (CID 16674357) is N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide is O=C(NCCc1nc(-c2ccncc2)n[nH]1)c1cccc2cccnc12.
What is the InChIKey of N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
The InChIKey is NJHDKTASROBYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(15-5-1-3-13-4-2-9-21-17(13)15)22-12-8-16-23-18(25-24-16)14-6-10-20-11-7-14/h1-7,9-11H,8,12H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide?
N-[2-(3-pyridin-4-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-4-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 16674357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).