4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane

C24H29F3N4O4 — CID 162764745

IUPAC4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane
SMILESCC(F)(F)F.Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(C(=O)O)nc(N2CCOCC2)c1
InChIInChI=1S/C22H26N4O4.C2H3F3/c1-15-4-5-17(23-22(29)26-6-2-3-7-26)14-18(15)16-12-19(21(27)28)24-20(13-16)25-8-10-30-11-9-25;1-2(3,4)5/h4-5,12-14H,2-3,6-11H2,1H3,(H,23,29)(H,27,28);1H3
InChIKeyZLNNEPLGWQRTJQ-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.79
Rot. Bonds4

About 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane

4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane (PubChem CID 162764745) has the molecular formula C24H29F3N4O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane.

Molecular Properties

Compound Name4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane
PubChem CID162764745
Molecular FormulaC24H29F3N4O4
Molecular Weight494.51 g/mol
Exact Mass494.21
IUPAC Name4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane
SMILESCC(F)(F)F.Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(C(=O)O)nc(N2CCOCC2)c1
InChIInChI=1S/C22H26N4O4.C2H3F3/c1-15-4-5-17(23-22(29)26-6-2-3-7-26)14-18(15)16-12-19(21(27)28)24-20(13-16)25-8-10-30-11-9-25;1-2(3,4)5/h4-5,12-14H,2-3,6-11H2,1H3,(H,23,29)(H,27,28);1H3
InChIKeyZLNNEPLGWQRTJQ-UHFFFAOYSA-N
XLogP4.79
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane with MolForge

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Related Compounds

US11407737, Example 21
CID 162764706
US11407737, Example 7
CID 162764788
US11407737, Example 19
CID 162764807
US11407737, Example 26
CID 162764821
US11407737, Example 20
CID 162764846
US11407737, Example 18
CID 162764900
US11407737, Example 8
CID 162764962
methyl 6-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)carbamoylamino]pyridine-2-carboxylate
CID 127034002
US10167279, Example 300
CID 134609345
US10167279, Example 304
CID 134609501
US10167279, Example 286
CID 134609666
US11407737, Example 60
CID 162764742

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane?
The IUPAC name of 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane (CID 162764745) is 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane.
What is the SMILES notation for 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane?
The canonical SMILES for 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane is CC(F)(F)F.Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(C(=O)O)nc(N2CCOCC2)c1.
What is the InChIKey of 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane?
The InChIKey is ZLNNEPLGWQRTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4.C2H3F3/c1-15-4-5-17(23-22(29)26-6-2-3-7-26)14-18(15)16-12-19(21(27)28)24-20(13-16)25-8-10-30-11-9-25;1-2(3,4)5/h4-5,12-14H,2-3,6-11H2,1H3,(H,23,29)(H,27,28);1H3.
What are the key properties of 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane?
4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane has a molecular weight of 494.51 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane is sourced from PubChem (CID 162764745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).