N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

C23H23N5O3 — CID 59367667

IUPACN-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C(C2)C3NCc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C23H23N5O3/c29-22(27-30)16-11-25-23(26-12-16)28-13-19-20(14-28)21(19)24-10-15-6-8-18(9-7-15)31-17-4-2-1-3-5-17/h1-9,11-12,19-21,24,30H,10,13-14H2,(H,27,29)
InChIKeyYMLSAIDCGOYCCA-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.61
Rot. Bonds7

About N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (PubChem CID 59367667) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
PubChem CID59367667
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C(C2)C3NCc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C23H23N5O3/c29-22(27-30)16-11-25-23(26-12-16)28-13-19-20(14-28)21(19)24-10-15-6-8-18(9-7-15)31-17-4-2-1-3-5-17/h1-9,11-12,19-21,24,30H,10,13-14H2,(H,27,29)
InChIKeyYMLSAIDCGOYCCA-UHFFFAOYSA-N
XLogP2.61
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.61
H-Bond Donors ≤ 53
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'}

Analyze N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367600
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
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
N-hydroxy-2-(6-piperidin-1-yl-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidine-5-carboxamide
CID 59367642
benzyl 5-[5-(hydroxycarbamoyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 25190333
2-[(3R,4S)-4-hydroxy-1-(5-phenoxypyrimidin-2-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide
CID 146113163
2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CID 88956297
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252305
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 11365089

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (CID 59367667) is N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CC3C(C2)C3NCc2ccc(Oc3ccccc3)cc2)nc1.
What is the InChIKey of N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is YMLSAIDCGOYCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-22(27-30)16-11-25-23(26-12-16)28-13-19-20(14-28)21(19)24-10-15-6-8-18(9-7-15)31-17-4-2-1-3-5-17/h1-9,11-12,19-21,24,30H,10,13-14H2,(H,27,29).
What are the key properties of N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59367667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).