N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide

C23H28N6O2 — CID 162666012

IUPACN-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
SMILESCn1cc(CN2CCC3(CCN(c4ncc(C(=O)NO)cn4)CC3)C2)c2ccccc21
InChIInChI=1S/C23H28N6O2/c1-27-14-18(19-4-2-3-5-20(19)27)15-28-9-6-23(16-28)7-10-29(11-8-23)22-24-12-17(13-25-22)21(30)26-31/h2-5,12-14,31H,6-11,15-16H2,1H3,(H,26,30)
InChIKeyHHBZHABWLHQPRG-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.58
Rot. Bonds4

About N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide (PubChem CID 162666012) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
PubChem CID162666012
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
SMILESCn1cc(CN2CCC3(CCN(c4ncc(C(=O)NO)cn4)CC3)C2)c2ccccc21
InChIInChI=1S/C23H28N6O2/c1-27-14-18(19-4-2-3-5-20(19)27)15-28-9-6-23(16-28)7-10-29(11-8-23)22-24-12-17(13-25-22)21(30)26-31/h2-5,12-14,31H,6-11,15-16H2,1H3,(H,26,30)
InChIKeyHHBZHABWLHQPRG-UHFFFAOYSA-N
XLogP2.58
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide (CID 162666012) is N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide is Cn1cc(CN2CCC3(CCN(c4ncc(C(=O)NO)cn4)CC3)C2)c2ccccc21.
What is the InChIKey of N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
The InChIKey is HHBZHABWLHQPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-27-14-18(19-4-2-3-5-20(19)27)15-28-9-6-23(16-28)7-10-29(11-8-23)22-24-12-17(13-25-22)21(30)26-31/h2-5,12-14,31H,6-11,15-16H2,1H3,(H,26,30).
What are the key properties of N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162666012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).