(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide

C21H22N2O4 — CID 7632625

IUPAC(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C21H22N2O4/c1-4-15-11-19(24)27-20-13(2)18(9-8-17(15)20)26-14(3)21(25)23-12-16-7-5-6-10-22-16/h5-11,14H,4,12H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyVMDNRFWXTSMUOT-CQSZACIVSA-N
MW366.42 g/mol
LogP3.14
Rot. Bonds6

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

(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 7632625) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID7632625
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C21H22N2O4/c1-4-15-11-19(24)27-20-13(2)18(9-8-17(15)20)26-14(3)21(25)23-12-16-7-5-6-10-22-16/h5-11,14H,4,12H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyVMDNRFWXTSMUOT-CQSZACIVSA-N
XLogP3.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.14
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-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7621963
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070038
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7618429
(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
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4906580
(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070060
4-ethyl-8-methyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 799848
(2S)-2-[[(2S)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]hexanoic acid
CID 6351192
(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]propanamide
CID 40634128
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
CID 4967046

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (CID 7632625) is (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccccn3)ccc12.
What is the InChIKey of (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is VMDNRFWXTSMUOT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-15-11-19(24)27-20-13(2)18(9-8-17(15)20)26-14(3)21(25)23-12-16-7-5-6-10-22-16/h5-11,14H,4,12H2,1-3H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.14, 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-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 7632625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).