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

C19H20N2O3 — CID 4199625

IUPAC2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1
InChIInChI=1S/C19H20N2O3/c1-4-12(5-2)18(22)21-15-10-11(3)16-17(20-15)13-8-6-7-9-14(13)24-19(16)23/h6-10,12H,4-5H2,1-3H3,(H,20,21,22)
InChIKeyAWRBQKNDUQHGIE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.02
Rot. Bonds4

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

2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide (PubChem CID 4199625) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide
PubChem CID4199625
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1
InChIInChI=1S/C19H20N2O3/c1-4-12(5-2)18(22)21-15-10-11(3)16-17(20-15)13-8-6-7-9-14(13)24-19(16)23/h6-10,12H,4-5H2,1-3H3,(H,20,21,22)
InChIKeyAWRBQKNDUQHGIE-UHFFFAOYSA-N
XLogP4.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.02
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 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
The IUPAC name of 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide (CID 4199625) is 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide is CCC(CC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1.
What is the InChIKey of 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
The InChIKey is AWRBQKNDUQHGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-12(5-2)18(22)21-15-10-11(3)16-17(20-15)13-8-6-7-9-14(13)24-19(16)23/h6-10,12H,4-5H2,1-3H3,(H,20,21,22).
What are the key properties of 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide has a molecular weight of 324.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide is sourced from PubChem (CID 4199625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).