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

C21H22N2O4 — CID 7596376

IUPAC(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C21H22N2O4/c1-3-6-15-11-20(24)27-19-12-17(8-9-18(15)19)26-14(2)21(25)23-13-16-7-4-5-10-22-16/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyFMAORNFWOMZKOT-CQSZACIVSA-N
MW366.42 g/mol
LogP3.22
Rot. Bonds7

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

(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 7596376) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID7596376
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccccn3)ccc12
InChIInChI=1S/C21H22N2O4/c1-3-6-15-11-20(24)27-19-12-17(8-9-18(15)19)26-14(2)21(25)23-13-16-7-4-5-10-22-16/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyFMAORNFWOMZKOT-CQSZACIVSA-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

(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070060
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4904334
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
CID 4967046
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
(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7621963
(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
CID 7596370
(2S)-N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 40512472
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 46633778
(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7632625
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (CID 7596376) is (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccccn3)ccc12.
What is the InChIKey of (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is FMAORNFWOMZKOT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-6-15-11-20(24)27-19-12-17(8-9-18(15)19)26-14(2)21(25)23-13-16-7-4-5-10-22-16/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-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 (2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 7596376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).