N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

C18H17FN2O3 — CID 3771635

IUPACN,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(=O)c3cc(F)ccc3oc2nc1C
InChIInChI=1S/C18H17FN2O3/c1-4-21(5-2)18(23)12-9-14-16(22)13-8-11(19)6-7-15(13)24-17(14)20-10(12)3/h6-9H,4-5H2,1-3H3
InChIKeyAJVXJNLZOGQRQN-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.27
Rot. Bonds3

About N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 3771635) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
PubChem CID3771635
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(=O)c3cc(F)ccc3oc2nc1C
InChIInChI=1S/C18H17FN2O3/c1-4-21(5-2)18(23)12-9-14-16(22)13-8-11(19)6-7-15(13)24-17(14)20-10(12)3/h6-9H,4-5H2,1-3H3
InChIKeyAJVXJNLZOGQRQN-UHFFFAOYSA-N
XLogP3.27
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]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,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (CID 3771635) is N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is CCN(CC)C(=O)c1cc2c(=O)c3cc(F)ccc3oc2nc1C.
What is the InChIKey of N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is AJVXJNLZOGQRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-4-21(5-2)18(23)12-9-14-16(22)13-8-11(19)6-7-15(13)24-17(14)20-10(12)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 3771635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).