N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

C19H18N6O2 — CID 59367687

IUPACN-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C(C2)C3Nc2nccc3ccccc23)nc1
InChIInChI=1S/C19H18N6O2/c26-18(24-27)12-7-21-19(22-8-12)25-9-14-15(10-25)16(14)23-17-13-4-2-1-3-11(13)5-6-20-17/h1-8,14-16,27H,9-10H2,(H,20,23)(H,24,26)
InChIKeyPZSZJJVXPSIKTN-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.69
Rot. Bonds4

About N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (PubChem CID 59367687) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
PubChem CID59367687
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C(C2)C3Nc2nccc3ccccc23)nc1
InChIInChI=1S/C19H18N6O2/c26-18(24-27)12-7-21-19(22-8-12)25-9-14-15(10-25)16(14)23-17-13-4-2-1-3-11(13)5-6-20-17/h1-8,14-16,27H,9-10H2,(H,20,23)(H,24,26)
InChIKeyPZSZJJVXPSIKTN-UHFFFAOYSA-N
XLogP1.69
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.69
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'}

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Related Compounds

2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 66876423
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-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367600
N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367667
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-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CID 88956297
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-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
CID 11996476
N-hydroxy-2-[2-(isoquinolin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
CID 162648420
N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide
CID 162559235
N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
CID 122298631

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (CID 59367687) is N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CC3C(C2)C3Nc2nccc3ccccc23)nc1.
What is the InChIKey of N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is PZSZJJVXPSIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-18(24-27)12-7-21-19(22-8-12)25-9-14-15(10-25)16(14)23-17-13-4-2-1-3-11(13)5-6-20-17/h1-8,14-16,27H,9-10H2,(H,20,23)(H,24,26).
What are the key properties of N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59367687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).