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

C22H18N2O3 — CID 4146378

IUPACN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1
InChIInChI=1S/C22H18N2O3/c1-13-6-5-7-15(10-13)12-19(25)23-18-11-14(2)20-21(24-18)16-8-3-4-9-17(16)27-22(20)26/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyTXPQCYQEFRSXQK-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.14
Rot. Bonds3

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

N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 4146378) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide
PubChem CID4146378
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1
InChIInChI=1S/C22H18N2O3/c1-13-6-5-7-15(10-13)12-19(25)23-18-11-14(2)20-21(24-18)16-8-3-4-9-17(16)27-22(20)26/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyTXPQCYQEFRSXQK-UHFFFAOYSA-N
XLogP4.14
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide (CID 4146378) is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1.
What is the InChIKey of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is TXPQCYQEFRSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-13-6-5-7-15(10-13)12-19(25)23-18-11-14(2)20-21(24-18)16-8-3-4-9-17(16)27-22(20)26/h3-11H,12H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide?
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 4146378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).