2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide

C25H22N2O5 — CID 4967046

IUPAC2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(-c2cc(=O)oc3cc(OC(C)C(=O)NCc4ccccn4)ccc23)cc1
InChIInChI=1S/C25H22N2O5/c1-16(25(29)27-15-18-5-3-4-12-26-18)31-20-10-11-21-22(14-24(28)32-23(21)13-20)17-6-8-19(30-2)9-7-17/h3-14,16H,15H2,1-2H3,(H,27,29)
InChIKeyYPBINYWGYJDKCF-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.95
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide

2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 4967046) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID4967046
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(-c2cc(=O)oc3cc(OC(C)C(=O)NCc4ccccn4)ccc23)cc1
InChIInChI=1S/C25H22N2O5/c1-16(25(29)27-15-18-5-3-4-12-26-18)31-20-10-11-21-22(14-24(28)32-23(21)13-20)17-6-8-19(30-2)9-7-17/h3-14,16H,15H2,1-2H3,(H,27,29)
InChIKeyYPBINYWGYJDKCF-UHFFFAOYSA-N
XLogP3.95
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide
CID 8015800
(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
(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
CID 7596370
2-[[2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235111
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
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
(2S)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 40697022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide (CID 4967046) is 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide is COc1ccc(-c2cc(=O)oc3cc(OC(C)C(=O)NCc4ccccn4)ccc23)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is YPBINYWGYJDKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-16(25(29)27-15-18-5-3-4-12-26-18)31-20-10-11-21-22(14-24(28)32-23(21)13-20)17-6-8-19(30-2)9-7-17/h3-14,16H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide?
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 430.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 4967046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).