2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide

C22H18N2O4 — CID 3558784

IUPAC2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1
InChIInChI=1S/C22H18N2O4/c1-13-11-18(23-19(25)12-14-7-9-15(27-2)10-8-14)24-21-16-5-3-4-6-17(16)28-22(26)20(13)21/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyUNDDXMPGFXYSLT-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide

2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide (PubChem CID 3558784) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
PubChem CID3558784
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1
InChIInChI=1S/C22H18N2O4/c1-13-11-18(23-19(25)12-14-7-9-15(27-2)10-8-14)24-21-16-5-3-4-6-17(16)28-22(26)20(13)21/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyUNDDXMPGFXYSLT-UHFFFAOYSA-N
XLogP3.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide
CID 4598501
2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 5190785
3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 5152683
5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 4673919
N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20925833
4-methyl-2-(2-oxochromen-3-yl)chromeno[4,3-b]pyridin-5-one
CID 987607
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
N-(4-amino-2,6-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 79993432
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide
CID 17251997
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-[3-[butyl-[(4-methoxyphenyl)methyl]amino]propyl]-3-methylchromeno[4,3-c]pyrazol-4-one
CID 171804335

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide (CID 3558784) is 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide is COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide?
The InChIKey is UNDDXMPGFXYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-13-11-18(23-19(25)12-14-7-9-15(27-2)10-8-14)24-21-16-5-3-4-6-17(16)28-22(26)20(13)21/h3-11H,12H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide?
2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 3558784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).