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

C18H15ClFN3O3 — CID 168942187

IUPAC3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide
SMILESCN(CCC(N)=O)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C18H15ClFN3O3/c1-23(7-6-15(21)24)16-5-4-12-13(9-17(25)26-18(12)22-16)11-3-2-10(20)8-14(11)19/h2-5,8-9H,6-7H2,1H3,(H2,21,24)
InChIKeyDQTTYDVGEGUPDL-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.96
Rot. Bonds5

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

3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide (PubChem CID 168942187) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide.

Molecular Properties

Compound Name3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide
PubChem CID168942187
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide
SMILESCN(CCC(N)=O)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C18H15ClFN3O3/c1-23(7-6-15(21)24)16-5-4-12-13(9-17(25)26-18(12)22-16)11-3-2-10(20)8-14(11)19/h2-5,8-9H,6-7H2,1H3,(H2,21,24)
InChIKeyDQTTYDVGEGUPDL-UHFFFAOYSA-N
XLogP2.96
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

US20250066377, Example 44
CID 168942055
US20250066377, Example 47
CID 168942088
US20250066377, Example 21
CID 168942092
US20250066377, Example 45
CID 168942152
US20250066377, Example 18
CID 168942156
US20250066377, Example 54
CID 168942174
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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide?
The IUPAC name of 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide (CID 168942187) is 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide.
What is the SMILES notation for 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide?
The canonical SMILES for 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide is CN(CCC(N)=O)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]propanamide?
The InChIKey is DQTTYDVGEGUPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-23(7-6-15(21)24)16-5-4-12-13(9-17(25)26-18(12)22-16)11-3-2-10(20)8-14(11)19/h2-5,8-9H,6-7H2,1H3,(H2,21,24).
What are the key properties of 3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide?
3-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanamide has a molecular weight of 375.79 g/mol, XLogP of 2.96, 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]propanamide is sourced from PubChem (CID 168942187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).