N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide

C21H24N6O3 — CID 175184641

IUPACN-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc2c(c1)c(CN1CC3(C1)CN(c1ncc(C(=O)NO)cn1)C3)cn2C
InChIInChI=1S/C21H24N6O3/c1-25-8-15(17-5-16(30-2)3-4-18(17)25)9-26-10-21(11-26)12-27(13-21)20-22-6-14(7-23-20)19(28)24-29/h3-8,29H,9-13H2,1-2H3,(H,24,28)
InChIKeyGSTOAZLFPSUMIM-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.42
Rot. Bonds5

About N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide (PubChem CID 175184641) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide
PubChem CID175184641
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc2c(c1)c(CN1CC3(C1)CN(c1ncc(C(=O)NO)cn1)C3)cn2C
InChIInChI=1S/C21H24N6O3/c1-25-8-15(17-5-16(30-2)3-4-18(17)25)9-26-10-21(11-26)12-27(13-21)20-22-6-14(7-23-20)19(28)24-29/h3-8,29H,9-13H2,1-2H3,(H,24,28)
InChIKeyGSTOAZLFPSUMIM-UHFFFAOYSA-N
XLogP1.42
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 175174949
N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
CID 162666012
2-[6-(1-benzothiophen-2-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 175189362
6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367689
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
butyl 4-[[5-(hydroxycarbamoyl)-1-methylindol-3-yl]methyl]piperazine-1-carboxylate
CID 90768051
2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943095
2-(furan-2-yl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943092
2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide
CID 166625654
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 92628240
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46977857

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide (CID 175184641) is N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide is COc1ccc2c(c1)c(CN1CC3(C1)CN(c1ncc(C(=O)NO)cn1)C3)cn2C.
What is the InChIKey of N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is GSTOAZLFPSUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-25-8-15(17-5-16(30-2)3-4-18(17)25)9-26-10-21(11-26)12-27(13-21)20-22-6-14(7-23-20)19(28)24-29/h3-8,29H,9-13H2,1-2H3,(H,24,28).
What are the key properties of N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 175184641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).