2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

C18H14N4O4 — CID 171910069

IUPAC2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C18H14N4O4/c1-11(17(24)19-18-21-20-15-4-2-3-9-22(15)18)25-13-7-5-12-6-8-16(23)26-14(12)10-13/h2-11H,1H3,(H,19,21,24)
InChIKeyNRPCGTANWODJOP-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.24
Rot. Bonds4

About 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (PubChem CID 171910069) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
PubChem CID171910069
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C18H14N4O4/c1-11(17(24)19-18-21-20-15-4-2-3-9-22(15)18)25-13-7-5-12-6-8-16(23)26-14(12)10-13/h2-11H,1H3,(H,19,21,24)
InChIKeyNRPCGTANWODJOP-UHFFFAOYSA-N
XLogP2.24
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 51117632
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7290728
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7290743
2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
CID 171915892
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
CID 53204403

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (CID 171910069) is 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is CC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1nnc2ccccn12.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The InChIKey is NRPCGTANWODJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-11(17(24)19-18-21-20-15-4-2-3-9-22(15)18)25-13-7-5-12-6-8-16(23)26-14(12)10-13/h2-11H,1H3,(H,19,21,24).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide has a molecular weight of 350.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 171910069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).