N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

C21H22N6O3 — CID 59367689

IUPACN-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESCn1cc(CC(=O)NC2C3CN(c4ncc(C(=O)NO)cn4)CC32)c2ccccc21
InChIInChI=1S/C21H22N6O3/c1-26-9-12(14-4-2-3-5-17(14)26)6-18(28)24-19-15-10-27(11-16(15)19)21-22-7-13(8-23-21)20(29)25-30/h2-5,7-9,15-16,19,30H,6,10-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyWVCYMEWWPDTCRZ-UHFFFAOYSA-N
MW406.45 g/mol
LogP0.88
Rot. Bonds5

About N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (PubChem CID 59367689) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
PubChem CID59367689
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
SMILESCn1cc(CC(=O)NC2C3CN(c4ncc(C(=O)NO)cn4)CC32)c2ccccc21
InChIInChI=1S/C21H22N6O3/c1-26-9-12(14-4-2-3-5-17(14)26)6-18(28)24-19-15-10-27(11-16(15)19)21-22-7-13(8-23-21)20(29)25-30/h2-5,7-9,15-16,19,30H,6,10-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyWVCYMEWWPDTCRZ-UHFFFAOYSA-N
XLogP0.88
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 50.88
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

N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367600
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-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367687
N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367667
2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 11589660
2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrimidine-5-carboxamide
CID 146294688
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
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-(quinolin-2-ylmethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 159523435
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 146297708

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (CID 59367689) is N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is Cn1cc(CC(=O)NC2C3CN(c4ncc(C(=O)NO)cn4)CC32)c2ccccc21.
What is the InChIKey of N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is WVCYMEWWPDTCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-26-9-12(14-4-2-3-5-17(14)26)6-18(28)24-19-15-10-27(11-16(15)19)21-22-7-13(8-23-21)20(29)25-30/h2-5,7-9,15-16,19,30H,6,10-11H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59367689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).