N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide

C23H26N6O2 — CID 162648420

IUPACN-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC3(CCN(Cc4cncc5ccccc45)C3)CC2)nc1
InChIInChI=1S/C23H26N6O2/c30-21(27-31)18-13-25-22(26-14-18)29-9-6-23(7-10-29)5-8-28(16-23)15-19-12-24-11-17-3-1-2-4-20(17)19/h1-4,11-14,31H,5-10,15-16H2,(H,27,30)
InChIKeyJVNPJUOLECVPMR-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.64
Rot. Bonds4

About N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide (PubChem CID 162648420) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
PubChem CID162648420
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC3(CCN(Cc4cncc5ccccc45)C3)CC2)nc1
InChIInChI=1S/C23H26N6O2/c30-21(27-31)18-13-25-22(26-14-18)29-9-6-23(7-10-29)5-8-28(16-23)15-19-12-24-11-17-3-1-2-4-20(17)19/h1-4,11-14,31H,5-10,15-16H2,(H,27,30)
InChIKeyJVNPJUOLECVPMR-UHFFFAOYSA-N
XLogP2.64
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.64
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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Related Compounds

N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
CID 162666012
N-hydroxy-2-[2-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162659929
2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide
CID 166625654
2-[6-(1-benzothiophen-2-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 175189362
[8-(isoquinolin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine;2,2,2-trifluoroacetic acid
CID 136576192
ethyl 2-[2-(isoquinolin-8-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxylate
CID 155683612
ethyl 2-[2-(quinolin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxylate
CID 155683644
N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10127592
N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
CID 11996476
N-hydroxy-2-[6-[(5-methoxy-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-5-carboxamide
CID 175184641
N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367687
2-[6-[(5-cyano-1-methylindol-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 175174949

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide (CID 162648420) is N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCC3(CCN(Cc4cncc5ccccc45)C3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
The InChIKey is JVNPJUOLECVPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-21(27-31)18-13-25-22(26-14-18)29-9-6-23(7-10-29)5-8-28(16-23)15-19-12-24-11-17-3-1-2-4-20(17)19/h1-4,11-14,31H,5-10,15-16H2,(H,27,30).
What are the key properties of N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.64, 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-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162648420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).