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

C18H18N2O3 — CID 4598501

IUPAC2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-10-9-13(20-17(22)18(2,3)4)19-15-11-7-5-6-8-12(11)23-16(21)14(10)15/h5-9H,1-4H3,(H,19,20,22)
InChIKeyJXNHGSIWMRBIJN-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.63
Rot. Bonds1

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

2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide (PubChem CID 4598501) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide
PubChem CID4598501
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-10-9-13(20-17(22)18(2,3)4)19-15-11-7-5-6-8-12(11)23-16(21)14(10)15/h5-9H,1-4H3,(H,19,20,22)
InChIKeyJXNHGSIWMRBIJN-UHFFFAOYSA-N
XLogP3.63
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.63
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'}

Analyze 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide (CID 4598501) is 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide is Cc1cc(NC(=O)C(C)(C)C)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide?
The InChIKey is JXNHGSIWMRBIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-9-13(20-17(22)18(2,3)4)19-15-11-7-5-6-8-12(11)23-16(21)14(10)15/h5-9H,1-4H3,(H,19,20,22).
What are the key properties of 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide?
2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 4598501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).