N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide

C20H16N2O2 — CID 121363868

IUPACN-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H16N2O2/c23-20(22-11-14-4-2-1-3-5-14)15-6-7-18-17-8-9-21-12-16(17)13-24-19(18)10-15/h1-10,12H,11,13H2,(H,22,23)
InChIKeyVPJJIOPOZCPBMR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.57
Rot. Bonds3

About N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363868) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363868
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC NameN-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H16N2O2/c23-20(22-11-14-4-2-1-3-5-14)15-6-7-18-17-8-9-21-12-16(17)13-24-19(18)10-15/h1-10,12H,11,13H2,(H,22,23)
InChIKeyVPJJIOPOZCPBMR-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-5H-chromeno[3,4-c]pyridine-8-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-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363868) is N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1ccccc1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is VPJJIOPOZCPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-20(22-11-14-4-2-1-3-5-14)15-6-7-18-17-8-9-21-12-16(17)13-24-19(18)10-15/h1-10,12H,11,13H2,(H,22,23).
What are the key properties of N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).