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

C18H19N5O3 — CID 42025017

IUPACethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCc2nnc3ccccn23)c1
InChIInChI=1S/C18H19N5O3/c1-2-26-18(25)20-14-7-5-6-13(12-14)17(24)19-10-9-16-22-21-15-8-3-4-11-23(15)16/h3-8,11-12H,2,9-10H2,1H3,(H,19,24)(H,20,25)
InChIKeySOHLBBPGGLKRKD-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.27
Rot. Bonds6

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

ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate (PubChem CID 42025017) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate
PubChem CID42025017
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Nameethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCc2nnc3ccccn23)c1
InChIInChI=1S/C18H19N5O3/c1-2-26-18(25)20-14-7-5-6-13(12-14)17(24)19-10-9-16-22-21-15-8-3-4-11-23(15)16/h3-8,11-12H,2,9-10H2,1H3,(H,19,24)(H,20,25)
InChIKeySOHLBBPGGLKRKD-UHFFFAOYSA-N
XLogP2.27
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate with MolForge

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Related Compounds

3-(methanesulfonamido)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 37212641
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17475495
3-phenylmethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 78810194
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947850
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate (CID 42025017) is ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NCCc2nnc3ccccn23)c1.
What is the InChIKey of ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate?
The InChIKey is SOHLBBPGGLKRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-2-26-18(25)20-14-7-5-6-13(12-14)17(24)19-10-9-16-22-21-15-8-3-4-11-23(15)16/h3-8,11-12H,2,9-10H2,1H3,(H,19,24)(H,20,25).
What are the key properties of ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate?
ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate has a molecular weight of 353.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 42025017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).