2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide

C20H20N2O4 — CID 4906580

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(=O)oc2c(C)c(OC(C)C(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-12-9-18(23)26-19-13(2)17(7-6-16(12)19)25-14(3)20(24)22-11-15-5-4-8-21-10-15/h4-10,14H,11H2,1-3H3,(H,22,24)
InChIKeyMHYDFHINHRWPAK-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.89
Rot. Bonds5

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 4906580) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
PubChem CID4906580
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(=O)oc2c(C)c(OC(C)C(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-12-9-18(23)26-19-13(2)17(7-6-16(12)19)25-14(3)20(24)22-11-15-5-4-8-21-10-15/h4-10,14H,11H2,1-3H3,(H,22,24)
InChIKeyMHYDFHINHRWPAK-UHFFFAOYSA-N
XLogP2.89
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.89
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-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7596637
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4905099
(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]propanamide
CID 40634128
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7618429
3-[[(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]propyl-dimethylazanium
CID 7599873
(2S)-2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632037
N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide
CID 4976305
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4904334
(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7632625
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide (CID 4906580) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide is Cc1cc(=O)oc2c(C)c(OC(C)C(=O)NCc3cccnc3)ccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is MHYDFHINHRWPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-9-18(23)26-19-13(2)17(7-6-16(12)19)25-14(3)20(24)22-11-15-5-4-8-21-10-15/h4-10,14H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 4906580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).