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

C20H20N2O4 — CID 7596637

IUPAC(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccncc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-12-10-18(23)26-19-13(2)17(5-4-16(12)19)25-14(3)20(24)22-11-15-6-8-21-9-7-15/h4-10,14H,11H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyNZYIIEHMQKEJHW-CQSZACIVSA-N
MW352.39 g/mol
LogP2.89
Rot. Bonds5

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

(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 7596637) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
PubChem CID7596637
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccncc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-12-10-18(23)26-19-13(2)17(5-4-16(12)19)25-14(3)20(24)22-11-15-6-8-21-9-7-15/h4-10,14H,11H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyNZYIIEHMQKEJHW-CQSZACIVSA-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

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4905099
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4906580
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7618429
(2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
CID 7553919
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7632023
3-[[(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]propyl-dimethylazanium
CID 7599873
(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]propanamide
CID 40634128
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824
(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7632625
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070038
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4975664
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7621963

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide (CID 7596637) is (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide is Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccncc3)ccc12.
What is the InChIKey of (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is NZYIIEHMQKEJHW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-10-18(23)26-19-13(2)17(5-4-16(12)19)25-14(3)20(24)22-11-15-6-8-21-9-7-15/h4-10,14H,11H2,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-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 (2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 7596637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).