(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide

C24H20N2O4 — CID 7070060

IUPAC(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCc1ccccn1
InChIInChI=1S/C24H20N2O4/c1-16(24(28)26-15-18-9-5-6-12-25-18)29-19-10-11-20-21(17-7-3-2-4-8-17)14-23(27)30-22(20)13-19/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyWNQNTECUIRKYRA-INIZCTEOSA-N
MW400.43 g/mol
LogP3.94
Rot. Bonds6

About (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide

(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 7070060) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID7070060
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCc1ccccn1
InChIInChI=1S/C24H20N2O4/c1-16(24(28)26-15-18-9-5-6-12-25-18)29-19-10-11-20-21(17-7-3-2-4-8-17)14-23(27)30-22(20)13-19/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyWNQNTECUIRKYRA-INIZCTEOSA-N
XLogP3.94
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.94
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-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
CID 4967046
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070038
2-[[2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235109
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 8015794
2-[[2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235111
(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
CID 7596370
4-[[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 982177
7-[(2R)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325271
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7633293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide (CID 7070060) is (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCc1ccccn1.
What is the InChIKey of (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WNQNTECUIRKYRA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16(24(28)26-15-18-9-5-6-12-25-18)29-19-10-11-20-21(17-7-3-2-4-8-17)14-23(27)30-22(20)13-19/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide?
(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 400.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 7070060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).