3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide

C19H17ClFN3O3 — CID 168942088

IUPAC3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C19H17ClFN3O3/c1-22-17(25)7-8-24(2)16-6-5-13-14(10-18(26)27-19(13)23-16)12-4-3-11(21)9-15(12)20/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyHEPYBWCGVLGXNJ-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.22
Rot. Bonds5

About 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide

3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide (PubChem CID 168942088) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide
PubChem CID168942088
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C19H17ClFN3O3/c1-22-17(25)7-8-24(2)16-6-5-13-14(10-18(26)27-19(13)23-16)12-4-3-11(21)9-15(12)20/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyHEPYBWCGVLGXNJ-UHFFFAOYSA-N
XLogP3.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

US20250066377, Example 44
CID 168942055
US20250066377, Example 21
CID 168942092
US20250066377, Example 45
CID 168942152
US20250066377, Example 54
CID 168942174
US20250066377, Example 52
CID 168942187
US20250066377, Example 55
CID 168942189
US20250066377, Example 46
CID 168942272
US20250066377, Example 53
CID 169715757
US20250066377, Example 25
CID 175902238
US20250066377, Example 26
CID 176456154
7-(2-Phenylethylamino)-4-(trifluoromethyl)pyrano[2,3-b]pyridin-2-one
CID 20342583
2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide
CID 69071664

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide (CID 168942088) is 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1.
What is the InChIKey of 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide?
The InChIKey is HEPYBWCGVLGXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-22-17(25)7-8-24(2)16-6-5-13-14(10-18(26)27-19(13)23-16)12-4-3-11(21)9-15(12)20/h3-6,9-10H,7-8H2,1-2H3,(H,22,25).
What are the key properties of 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide?
3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide has a molecular weight of 389.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 168942088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).