N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide

C21H15N3O3 — CID 122483122

IUPACN-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide
SMILESO=C(NCCO)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21
InChIInChI=1S/C21H15N3O3/c25-11-10-22-20(26)13-8-9-14-18-12(13)4-3-5-15(18)21(27)24-17-7-2-1-6-16(17)23-19(14)24/h1-9,25H,10-11H2,(H,22,26)
InChIKeyGWHGUEUVERXQQH-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.31
Rot. Bonds3

About N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide

N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide (PubChem CID 122483122) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide
PubChem CID122483122
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide
SMILESO=C(NCCO)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21
InChIInChI=1S/C21H15N3O3/c25-11-10-22-20(26)13-8-9-14-18-12(13)4-3-5-15(18)21(27)24-17-7-2-1-6-16(17)23-19(14)24/h1-9,25H,10-11H2,(H,22,26)
InChIKeyGWHGUEUVERXQQH-UHFFFAOYSA-N
XLogP2.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide (CID 122483122) is N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide is O=C(NCCO)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21.
What is the InChIKey of N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide?
The InChIKey is GWHGUEUVERXQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-11-10-22-20(26)13-8-9-14-18-12(13)4-3-5-15(18)21(27)24-17-7-2-1-6-16(17)23-19(14)24/h1-9,25H,10-11H2,(H,22,26).
What are the key properties of N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide?
N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxamide is sourced from PubChem (CID 122483122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).