N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C20H17N5O3 — CID 31618826

IUPACN-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1nnc2ccccn12)c1ccco1
InChIInChI=1S/C20H17N5O3/c26-19(21-11-10-18-24-23-17-9-3-4-12-25(17)18)14-6-1-2-7-15(14)22-20(27)16-8-5-13-28-16/h1-9,12-13H,10-11H2,(H,21,26)(H,22,27)
InChIKeyZUYCWTDBPUOQHF-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 31618826) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID31618826
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1nnc2ccccn12)c1ccco1
InChIInChI=1S/C20H17N5O3/c26-19(21-11-10-18-24-23-17-9-3-4-12-25(17)18)14-6-1-2-7-15(14)22-20(27)16-8-5-13-28-16/h1-9,12-13H,10-11H2,(H,21,26)(H,22,27)
InChIKeyZUYCWTDBPUOQHF-UHFFFAOYSA-N
XLogP2.55
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 31618826) is N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)NCCc1nnc2ccccn12)c1ccco1.
What is the InChIKey of N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZUYCWTDBPUOQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-19(21-11-10-18-24-23-17-9-3-4-12-25(17)18)14-6-1-2-7-15(14)22-20(27)16-8-5-13-28-16/h1-9,12-13H,10-11H2,(H,21,26)(H,22,27).
What are the key properties of N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 31618826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).