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

C19H16ClFN2O4 — CID 168942174

IUPACmethyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate
SMILESCOC(=O)[C@H](C)N(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C19H16ClFN2O4/c1-10(19(25)26-3)23(2)16-7-6-13-14(9-17(24)27-18(13)22-16)12-5-4-11(21)8-15(12)20/h4-10H,1-3H3/t10-/m0/s1
InChIKeyWXLKUTLZUWWGNZ-JTQLQIEISA-N
MW390.80 g/mol
LogP3.65
Rot. Bonds4

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

methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate (PubChem CID 168942174) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate
PubChem CID168942174
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Namemethyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate
SMILESCOC(=O)[C@H](C)N(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1
InChIInChI=1S/C19H16ClFN2O4/c1-10(19(25)26-3)23(2)16-7-6-13-14(9-17(24)27-18(13)22-16)12-5-4-11(21)8-15(12)20/h4-10H,1-3H3/t10-/m0/s1
InChIKeyWXLKUTLZUWWGNZ-JTQLQIEISA-N
XLogP3.65
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate 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 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
(S)-methyl 2-((4-chloro-6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)amino)propanoate
CID 67981727

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate?
The IUPAC name of methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate (CID 168942174) is methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate is COC(=O)[C@H](C)N(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2n1.
What is the InChIKey of methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate?
The InChIKey is WXLKUTLZUWWGNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-10(19(25)26-3)23(2)16-7-6-13-14(9-17(24)27-18(13)22-16)12-5-4-11(21)8-15(12)20/h4-10H,1-3H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate?
methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate has a molecular weight of 390.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[4-(2-chloro-4-fluorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]-methylamino]propanoate is sourced from PubChem (CID 168942174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).