(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide

C20H20N2O4 — CID 7580834

IUPAC(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-3-15-9-19(23)26-18-10-16(6-7-17(15)18)25-13(2)20(24)22-12-14-5-4-8-21-11-14/h4-11,13H,3,12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyYHFHOEFKXUHLGM-CYBMUJFWSA-N
MW352.39 g/mol
LogP2.83
Rot. Bonds6

About (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide

(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 7580834) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
PubChem CID7580834
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-3-15-9-19(23)26-18-10-16(6-7-17(15)18)25-13(2)20(24)22-12-14-5-4-8-21-11-14/h4-11,13H,3,12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyYHFHOEFKXUHLGM-CYBMUJFWSA-N
XLogP2.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.83
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-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4904334
(2S)-2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632037
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
(2S)-2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632762
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4906580
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
CID 171908297
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide (CID 7580834) is (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide is CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3cccnc3)ccc12.
What is the InChIKey of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is YHFHOEFKXUHLGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-15-9-19(23)26-18-10-16(6-7-17(15)18)25-13(2)20(24)22-12-14-5-4-8-21-11-14/h4-11,13H,3,12H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide?
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 7580834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).