2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide

C20H20N2O4 — CID 4906159

IUPAC2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-2-4-15-9-20(24)26-18-10-16(6-7-17(15)18)25-13-19(23)22-12-14-5-3-8-21-11-14/h3,5-11H,2,4,12-13H2,1H3,(H,22,23)
InChIKeyBTGUTROJVLSTFB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.84
Rot. Bonds7

About 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide

2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 4906159) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
PubChem CID4906159
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C20H20N2O4/c1-2-4-15-9-20(24)26-18-10-16(6-7-17(15)18)25-13-19(23)22-12-14-5-3-8-21-11-14/h3,5-11H,2,4,12-13H2,1H3,(H,22,23)
InChIKeyBTGUTROJVLSTFB-UHFFFAOYSA-N
XLogP2.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.84
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
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4965250
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 4902196
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 42378552
3-methyl-2-[[2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
CID 3716329
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 4904725
N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353959
N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353958

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide (CID 4906159) is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide is CCCc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12.
What is the InChIKey of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BTGUTROJVLSTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-4-15-9-20(24)26-18-10-16(6-7-17(15)18)25-13-19(23)22-12-14-5-3-8-21-11-14/h3,5-11H,2,4,12-13H2,1H3,(H,22,23).
What are the key properties of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 4906159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).