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

C17H13ClFN3O3 — CID 168942272

IUPAC2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C17H13ClFN3O3/c1-22(8-14(20)23)15-5-4-11-12(7-16(24)25-17(11)21-15)10-3-2-9(19)6-13(10)18/h2-7H,8H2,1H3,(H2,20,23)
InChIKeyCTBNGBGKOBJIBX-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.57
Rot. Bonds4

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

2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide (PubChem CID 168942272) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide
PubChem CID168942272
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Name2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C17H13ClFN3O3/c1-22(8-14(20)23)15-5-4-11-12(7-16(24)25-17(11)21-15)10-3-2-9(19)6-13(10)18/h2-7H,8H2,1H3,(H2,20,23)
InChIKeyCTBNGBGKOBJIBX-UHFFFAOYSA-N
XLogP2.57
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(S)-2-((4-chloro-6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)amino)propanamide
CID 57405904
US20250066377, Example 44
CID 168942055
US20250066377, Example 47
CID 168942088
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 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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide?
The IUPAC name of 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide (CID 168942272) is 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide is CN(CC(N)=O)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1.
What is the InChIKey of 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide?
The InChIKey is CTBNGBGKOBJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-22(8-14(20)23)15-5-4-11-12(7-16(24)25-17(11)21-15)10-3-2-9(19)6-13(10)18/h2-7H,8H2,1H3,(H2,20,23).
What are the key properties of 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide?
2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide has a molecular weight of 361.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]acetamide is sourced from PubChem (CID 168942272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).