methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate

C24H31FN2O4 — CID 69445380

IUPACmethyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O4/c1-14(2)12-19-18(13-26-23(29)31-24(4,5)6)21(16-8-10-17(25)11-9-16)20(15(3)27-19)22(28)30-7/h8-11,14H,12-13H2,1-7H3,(H,26,29)
InChIKeyPWDGWSGFGRPLDV-UHFFFAOYSA-N
MW430.52 g/mol
LogP5.21
Rot. Bonds6

About methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate

methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate (PubChem CID 69445380) has the molecular formula C24H31FN2O4 and a molecular weight of 430.52 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate
PubChem CID69445380
Molecular FormulaC24H31FN2O4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC Namemethyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O4/c1-14(2)12-19-18(13-26-23(29)31-24(4,5)6)21(16-8-10-17(25)11-9-16)20(15(3)27-19)22(28)30-7/h8-11,14H,12-13H2,1-7H3,(H,26,29)
InChIKeyPWDGWSGFGRPLDV-UHFFFAOYSA-N
XLogP5.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate (CID 69445380) is methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate is COC(=O)c1c(C)nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c1-c1ccc(F)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate?
The InChIKey is PWDGWSGFGRPLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4/c1-14(2)12-19-18(13-26-23(29)31-24(4,5)6)21(16-8-10-17(25)11-9-16)20(15(3)27-19)22(28)30-7/h8-11,14H,12-13H2,1-7H3,(H,26,29).
What are the key properties of methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate?
methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate has a molecular weight of 430.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)pyridine-3-carboxylate is sourced from PubChem (CID 69445380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).