N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide

C22H16N2O4 — CID 1254455

IUPACN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1
InChIInChI=1S/C22H16N2O4/c1-27-20-9-8-14(12-18(20)24-21(25)16-6-4-10-23-13-16)17-11-15-5-2-3-7-19(15)28-22(17)26/h2-13H,1H3,(H,24,25)
InChIKeyRNNHMEZTWPUAJR-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.12
Rot. Bonds4

About N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide

N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 1254455) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID1254455
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1
InChIInChI=1S/C22H16N2O4/c1-27-20-9-8-14(12-18(20)24-21(25)16-6-4-10-23-13-16)17-11-15-5-2-3-7-19(15)28-22(17)26/h2-13H,1H3,(H,24,25)
InChIKeyRNNHMEZTWPUAJR-UHFFFAOYSA-N
XLogP4.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide 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 N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide (CID 1254455) is N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide is COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is RNNHMEZTWPUAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-27-20-9-8-14(12-18(20)24-21(25)16-6-4-10-23-13-16)17-11-15-5-2-3-7-19(15)28-22(17)26/h2-13H,1H3,(H,24,25).
What are the key properties of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1254455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).