N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide

C22H18N4O2 — CID 17474331

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H18N4O2/c27-22(23-13-12-20-25-24-19-11-5-6-14-26(19)20)21-15-7-1-3-9-17(15)28-18-10-4-2-8-16(18)21/h1-11,14,21H,12-13H2,(H,23,27)
InChIKeyHQRVROOAMLUMIT-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.33
Rot. Bonds4

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 17474331) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID17474331
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H18N4O2/c27-22(23-13-12-20-25-24-19-11-5-6-14-26(19)20)21-15-7-1-3-9-17(15)28-18-10-4-2-8-16(18)21/h1-11,14,21H,12-13H2,(H,23,27)
InChIKeyHQRVROOAMLUMIT-UHFFFAOYSA-N
XLogP3.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 64824029
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63714986
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
cis-(1R,2S)-2-(5-methylthiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 95273551
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide (CID 17474331) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide is O=C(NCCc1nnc2ccccn12)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is HQRVROOAMLUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(23-13-12-20-25-24-19-11-5-6-14-26(19)20)21-15-7-1-3-9-17(15)28-18-10-4-2-8-16(18)21/h1-11,14,21H,12-13H2,(H,23,27).
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 17474331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).