N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide

About N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide

N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide (PubChem CID 163159094) has the molecular formula C23H24N5O5- and a molecular weight of 450.48 g/mol. Its IUPAC name is N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide.

Molecular Properties

Compound Name	N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide
PubChem CID	163159094
Molecular Formula	C23H24N5O5-
Molecular Weight	450.48 g/mol
Exact Mass	450.18
IUPAC Name	N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide
SMILES	CC(=O)Nc1cccc2c1ccn2CC(=O)N1CC2CC(C1)c1ccc(N([O-])O)c(=O)n1C2
InChI	InChI=1S/C23H24N5O5/c1-14(29)24-18-3-2-4-20-17(18)7-8-25(20)13-22(30)26-10-15-9-16(12-26)19-5-6-21(28(32)33)23(31)27(19)11-15/h2-8,15-16,32H,9-13H2,1H3,(H,24,29)/q-1
InChIKey	RYRWGVAOYSJQMH-UHFFFAOYSA-N
XLogP	2.10
TPSA	122.87 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide?

The IUPAC name of N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide (CID 163159094) is N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide.

What is the SMILES notation for N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide?

The canonical SMILES for N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)N1CC2CC(C1)c1ccc(N([O-])O)c(=O)n1C2.

What is the InChIKey of N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide?

The InChIKey is RYRWGVAOYSJQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N5O5/c1-14(29)24-18-3-2-4-20-17(18)7-8-25(20)13-22(30)26-10-15-9-16(12-26)19-5-6-21(28(32)33)23(31)27(19)11-15/h2-8,15-16,32H,9-13H2,1H3,(H,24,29)/q-1.

What are the key properties of N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide?

N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide has a molecular weight of 450.48 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[5-[hydroxy(oxido)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]indol-4-yl]acetamide is sourced from PubChem (CID 163159094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).