3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide

C20H21N7O3 — CID 86269649

IUPAC3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Oc3ccnc(-c4cn(C)cn4)c3)cn2)C1=O
InChIInChI=1S/C20H21N7O3/c1-3-26-8-9-27(20(26)29)19(28)24-18-5-4-15(11-22-18)30-14-6-7-21-16(10-14)17-12-25(2)13-23-17/h4-7,10-13H,3,8-9H2,1-2H3,(H,22,24,28)
InChIKeyJHUSEUNRMXVAQD-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.96
Rot. Bonds5

About 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide

3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 86269649) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID86269649
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Oc3ccnc(-c4cn(C)cn4)c3)cn2)C1=O
InChIInChI=1S/C20H21N7O3/c1-3-26-8-9-27(20(26)29)19(28)24-18-5-4-15(11-22-18)30-14-6-7-21-16(10-14)17-12-25(2)13-23-17/h4-7,10-13H,3,8-9H2,1-2H3,(H,22,24,28)
InChIKeyJHUSEUNRMXVAQD-UHFFFAOYSA-N
XLogP2.96
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide (CID 86269649) is 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(Oc3ccnc(-c4cn(C)cn4)c3)cn2)C1=O.
What is the InChIKey of 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is JHUSEUNRMXVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-3-26-8-9-27(20(26)29)19(28)24-18-5-4-15(11-22-18)30-14-6-7-21-16(10-14)17-12-25(2)13-23-17/h4-7,10-13H,3,8-9H2,1-2H3,(H,22,24,28).
What are the key properties of 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 86269649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).