3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide

C21H23N5O4 — CID 167826223

IUPAC3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
SMILESCn1nnc2c1CC(C(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)CC2
InChIInChI=1S/C21H23N5O4/c1-25-16-12-13(6-7-15(16)23-24-25)20(27)22-18-14-4-2-3-5-17(14)30-19(18)21(28)26-8-10-29-11-9-26/h2-5,13H,6-12H2,1H3,(H,22,27)
InChIKeyKZNLVZZJIOLYTB-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide

3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide (PubChem CID 167826223) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
PubChem CID167826223
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
SMILESCn1nnc2c1CC(C(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)CC2
InChIInChI=1S/C21H23N5O4/c1-25-16-12-13(6-7-15(16)23-24-25)20(27)22-18-14-4-2-3-5-17(14)30-19(18)21(28)26-8-10-29-11-9-26/h2-5,13H,6-12H2,1H3,(H,22,27)
InChIKeyKZNLVZZJIOLYTB-UHFFFAOYSA-N
XLogP1.78
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24501964
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
CID 20925750
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
CID 167828106
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448027
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 51237733
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 154836602

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide (CID 167826223) is 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide is Cn1nnc2c1CC(C(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)CC2.
What is the InChIKey of 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The InChIKey is KZNLVZZJIOLYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-25-16-12-13(6-7-15(16)23-24-25)20(27)22-18-14-4-2-3-5-17(14)30-19(18)21(28)26-8-10-29-11-9-26/h2-5,13H,6-12H2,1H3,(H,22,27).
What are the key properties of 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide is sourced from PubChem (CID 167826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).