4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide

C17H17BrN4O3 — CID 177251668

IUPAC4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C1NC(=O)C2(CCCC2CNC(=O)c2cc3c(Br)cccc3[nH]2)N1
InChIInChI=1S/C17H17BrN4O3/c18-11-4-1-5-12-10(11)7-13(20-12)14(23)19-8-9-3-2-6-17(9)15(24)21-16(25)22-17/h1,4-5,7,9,20H,2-3,6,8H2,(H,19,23)(H2,21,22,24,25)
InChIKeyDUXZQUCSZDYFIP-UHFFFAOYSA-N
MW405.25 g/mol
LogP2.04
Rot. Bonds3

About 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide

4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 177251668) has the molecular formula C17H17BrN4O3 and a molecular weight of 405.25 g/mol. Its IUPAC name is 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide
PubChem CID177251668
Molecular FormulaC17H17BrN4O3
Molecular Weight405.25 g/mol
Exact Mass404.05
IUPAC Name4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C1NC(=O)C2(CCCC2CNC(=O)c2cc3c(Br)cccc3[nH]2)N1
InChIInChI=1S/C17H17BrN4O3/c18-11-4-1-5-12-10(11)7-13(20-12)14(23)19-8-9-3-2-6-17(9)15(24)21-16(25)22-17/h1,4-5,7,9,20H,2-3,6,8H2,(H,19,23)(H2,21,22,24,25)
InChIKeyDUXZQUCSZDYFIP-UHFFFAOYSA-N
XLogP2.04
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-benzothiophene-5-carboxamide
CID 124884132
N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-7-methyl-2,3-dihydro-1H-indene-4-carboxamide
CID 128555479
N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-4-ethylpyridine-2-carboxamide
CID 124615597
N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide
CID 97099072
1-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-3-(3-ethyl-4-methylphenyl)urea
CID 124615846
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
CID 166404601
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
CID 146125241
4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
CID 66897930
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 164629350

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide (CID 177251668) is 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide is O=C1NC(=O)C2(CCCC2CNC(=O)c2cc3c(Br)cccc3[nH]2)N1.
What is the InChIKey of 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is DUXZQUCSZDYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3/c18-11-4-1-5-12-10(11)7-13(20-12)14(23)19-8-9-3-2-6-17(9)15(24)21-16(25)22-17/h1,4-5,7,9,20H,2-3,6,8H2,(H,19,23)(H2,21,22,24,25).
What are the key properties of 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide?
4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 405.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177251668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).