N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

C30H30ClN5O2 — CID 162670320

IUPACN-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccc5ccc6cccc7ccc4c5c67)C3)CC2)nc1
InChIInChI=1S/C30H29N5O2.ClH/c36-28(33-37)24-16-31-29(32-17-24)35-14-11-30(12-15-35)10-13-34(19-30)18-23-7-6-22-5-4-20-2-1-3-21-8-9-25(23)27(22)26(20)21;/h1-9,16-17,37H,10-15,18-19H2,(H,33,36);1H
InChIKeyIHNCJMUSJPXMIU-UHFFFAOYSA-N
MW528.06 g/mol
LogP5.41
Rot. Bonds4

About N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 162670320) has the molecular formula C30H30ClN5O2 and a molecular weight of 528.06 g/mol. Its IUPAC name is N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID162670320
Molecular FormulaC30H30ClN5O2
Molecular Weight528.06 g/mol
Exact Mass527.21
IUPAC NameN-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccc5ccc6cccc7ccc4c5c67)C3)CC2)nc1
InChIInChI=1S/C30H29N5O2.ClH/c36-28(33-37)24-16-31-29(32-17-24)35-14-11-30(12-15-35)10-13-34(19-30)18-23-7-6-22-5-4-20-2-1-3-21-8-9-25(23)27(22)26(20)21;/h1-9,16-17,37H,10-15,18-19H2,(H,33,36);1H
InChIKeyIHNCJMUSJPXMIU-UHFFFAOYSA-N
XLogP5.41
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.06
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 10286983
N-Hydroxy 2-{6-[(naphthalen-2-ylmethylamino)methyl]-3-azabicyclo[3.1.0]hex-3-yl}-pyrimidine-5-carboxamide
CID 49855588
N-hydroxy-2-[2-(phenanthren-9-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162645744
N-hydroxy-2-[2-(naphthalen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162657499
2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162660646
2-[2-(anthracen-9-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162662923
N-hydroxy-2-[2-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162671796
N-hydroxy-2-[(1S,5R)-6-(naphthalene-2-carbonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49855789
N-hydroxy-2-[(1S,5R)-6-(naphthalen-2-ylmethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49856926
2-[(1S,5R)-6-[(4-butylphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CID 49857128
N-hydroxy-2-[(1S,5R)-6-[(4-phenylphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49857315
N-hydroxy-2-((3aR,6aS)-5-(naphthalen-2-ylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyrimidine-5-carboxamide
CID 50898619

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (CID 162670320) is N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccc5ccc6cccc7ccc4c5c67)C3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is IHNCJMUSJPXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2.ClH/c36-28(33-37)24-16-31-29(32-17-24)35-14-11-30(12-15-35)10-13-34(19-30)18-23-7-6-22-5-4-20-2-1-3-21-8-9-25(23)27(22)26(20)21;/h1-9,16-17,37H,10-15,18-19H2,(H,33,36);1H.
What are the key properties of N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 528.06 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(pyren-1-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162670320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).