2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate

C20H26N4O4 — CID 55718857

IUPAC2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCCC3)cn2)c1C
InChIInChI=1S/C20H26N4O4/c1-13-17(20(26)28-11-10-27-3)14(2)22-18(13)19(25)23-16-7-6-15(12-21-16)24-8-4-5-9-24/h6-7,12,22H,4-5,8-11H2,1-3H3,(H,21,23,25)
InChIKeyFXMNUHNEDBLFLP-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.68
Rot. Bonds7

About 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate

2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 55718857) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID55718857
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCCC3)cn2)c1C
InChIInChI=1S/C20H26N4O4/c1-13-17(20(26)28-11-10-27-3)14(2)22-18(13)19(25)23-16-7-6-15(12-21-16)24-8-4-5-9-24/h6-7,12,22H,4-5,8-11H2,1-3H3,(H,21,23,25)
InChIKeyFXMNUHNEDBLFLP-UHFFFAOYSA-N
XLogP2.68
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 55718857) is 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate is COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCCC3)cn2)c1C.
What is the InChIKey of 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is FXMNUHNEDBLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-17(20(26)28-11-10-27-3)14(2)22-18(13)19(25)23-16-7-6-15(12-21-16)24-8-4-5-9-24/h6-7,12,22H,4-5,8-11H2,1-3H3,(H,21,23,25).
What are the key properties of 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55718857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).