2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide

C21H23N5O4 — CID 20925932

IUPAC2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCCOCC(=O)Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12
InChIInChI=1S/C21H23N5O4/c1-2-29-14-17(27)24-18-15-6-3-4-7-16(15)30-19(18)20(28)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9H,2,10-14H2,1H3,(H,24,27)
InChIKeyQOFQAAAUGZSEAW-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.16
Rot. Bonds6

About 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide

2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide (PubChem CID 20925932) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
PubChem CID20925932
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCCOCC(=O)Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12
InChIInChI=1S/C21H23N5O4/c1-2-29-14-17(27)24-18-15-6-3-4-7-16(15)30-19(18)20(28)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9H,2,10-14H2,1H3,(H,24,27)
InChIKeyQOFQAAAUGZSEAW-UHFFFAOYSA-N
XLogP2.16
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrimidine-4-carboxamide, 26
CID 11220580
3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492943
(3S)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492999
(3R)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141493000
2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218728
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
Pyrimidine-4-carboxamide, 28
CID 44520987
[4-[[4-[4-(1-Benzofuran-2-yl)pyrimidin-2-yl]piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184994
2-[4-[[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]-1-benzofuran-7-carboxamide
CID 164625133

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide (CID 20925932) is 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide is CCOCC(=O)Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12.
What is the InChIKey of 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is QOFQAAAUGZSEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-2-29-14-17(27)24-18-15-6-3-4-7-16(15)30-19(18)20(28)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9H,2,10-14H2,1H3,(H,24,27).
What are the key properties of 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 20925932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).