2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide

C21H22N2O4 — CID 4904334

IUPAC2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCCCc1cc(=O)oc2cc(OC(C)C(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C21H22N2O4/c1-3-5-16-10-20(24)27-19-11-17(7-8-18(16)19)26-14(2)21(25)23-13-15-6-4-9-22-12-15/h4,6-12,14H,3,5,13H2,1-2H3,(H,23,25)
InChIKeyXVYOWGLZNFOWEX-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.22
Rot. Bonds7

About 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide

2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 4904334) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
PubChem CID4904334
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCCCc1cc(=O)oc2cc(OC(C)C(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C21H22N2O4/c1-3-5-16-10-20(24)27-19-11-17(7-8-18(16)19)26-14(2)21(25)23-13-15-6-4-9-22-12-15/h4,6-12,14H,3,5,13H2,1-2H3,(H,23,25)
InChIKeyXVYOWGLZNFOWEX-UHFFFAOYSA-N
XLogP3.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
(2S)-2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632762
(2S)-2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632037
(2S)-N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 40512472
N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 4909987
4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 46633778
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4906580

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide (CID 4904334) is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide is CCCc1cc(=O)oc2cc(OC(C)C(=O)NCc3cccnc3)ccc12.
What is the InChIKey of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XVYOWGLZNFOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-5-16-10-20(24)27-19-11-17(7-8-18(16)19)26-14(2)21(25)23-13-15-6-4-9-22-12-15/h4,6-12,14H,3,5,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 4904334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).