N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

C20H25N5O2 — CID 59367600

IUPACN-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESCC(CCNC1C2CN(c3ncc(C(=O)NO)cn3)CC21)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-13(14-5-3-2-4-6-14)7-8-21-18-16-11-25(12-17(16)18)20-22-9-15(10-23-20)19(26)24-27/h2-6,9-10,13,16-18,21,27H,7-8,11-12H2,1H3,(H,24,26)
InChIKeyHMJZLXPPNGRKKN-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.81
Rot. Bonds7

About N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (PubChem CID 59367600) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
PubChem CID59367600
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESCC(CCNC1C2CN(c3ncc(C(=O)NO)cn3)CC21)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-13(14-5-3-2-4-6-14)7-8-21-18-16-11-25(12-17(16)18)20-22-9-15(10-23-20)19(26)24-27/h2-6,9-10,13,16-18,21,27H,7-8,11-12H2,1H3,(H,24,26)
InChIKeyHMJZLXPPNGRKKN-UHFFFAOYSA-N
XLogP1.81
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.81
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367667
N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367689
N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367687
N-hydroxy-2-[6-(quinolin-2-ylmethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 159523435
N-hydroxy-2-(6-piperidin-1-yl-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidine-5-carboxamide
CID 59367642
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
2-[(3aS,6aR)-5-(4-phenoxybutanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 52942121
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-(3-phenylbutyl)benzamide
CID 62403316
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CID 88956297
(1S)-5-[5-(hydroxycarbamoyl)pyrimidin-2-yl]-4-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 87649486

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (CID 59367600) is N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is CC(CCNC1C2CN(c3ncc(C(=O)NO)cn3)CC21)c1ccccc1.
What is the InChIKey of N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is HMJZLXPPNGRKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(14-5-3-2-4-6-14)7-8-21-18-16-11-25(12-17(16)18)20-22-9-15(10-23-20)19(26)24-27/h2-6,9-10,13,16-18,21,27H,7-8,11-12H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59367600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).