methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

C23H24FN3O4 — CID 60512388

IUPACmethyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)NCc2cccnc2Oc2cccc(F)c2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C23H24FN3O4/c1-4-7-18-19(23(29)30-3)14(2)27-20(18)21(28)26-13-15-8-6-11-25-22(15)31-17-10-5-9-16(24)12-17/h5-6,8-12,27H,4,7,13H2,1-3H3,(H,26,28)
InChIKeyMIZDQMXXBUEXLK-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.32
Rot. Bonds8

About methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (PubChem CID 60512388) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
PubChem CID60512388
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Namemethyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)NCc2cccnc2Oc2cccc(F)c2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C23H24FN3O4/c1-4-7-18-19(23(29)30-3)14(2)27-20(18)21(28)26-13-15-8-6-11-25-22(15)31-17-10-5-9-16(24)12-17/h5-6,8-12,27H,4,7,13H2,1-3H3,(H,26,28)
InChIKeyMIZDQMXXBUEXLK-UHFFFAOYSA-N
XLogP4.32
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 55965841
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-5-nitrobenzamide
CID 55777394
1-benzyl-5-chloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55692792
ethyl 4-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 55741558

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (CID 60512388) is methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is CCCc1c(C(=O)NCc2cccnc2Oc2cccc(F)c2)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The InChIKey is MIZDQMXXBUEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-4-7-18-19(23(29)30-3)14(2)27-20(18)21(28)26-13-15-8-6-11-25-22(15)31-17-10-5-9-16(24)12-17/h5-6,8-12,27H,4,7,13H2,1-3H3,(H,26,28).
What are the key properties of methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 60512388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).