2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

C16H20N4O3 — CID 167979496

IUPAC2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESCc1cc(=O)c(C(=O)N2C[C@@H]3C(NC(=O)CC4CC4)[C@@H]3C2)n[nH]1
InChIInChI=1S/C16H20N4O3/c1-8-4-12(21)15(19-18-8)16(23)20-6-10-11(7-20)14(10)17-13(22)5-9-2-3-9/h4,9-11,14H,2-3,5-7H2,1H3,(H,17,22)(H,18,21)/t10-,11+,14?
InChIKeyJMJFYEKXQMHKNE-BVUQATHDSA-N
MW316.36 g/mol
LogP0.07
Rot. Bonds4

About 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (PubChem CID 167979496) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
PubChem CID167979496
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESCc1cc(=O)c(C(=O)N2C[C@@H]3C(NC(=O)CC4CC4)[C@@H]3C2)n[nH]1
InChIInChI=1S/C16H20N4O3/c1-8-4-12(21)15(19-18-8)16(23)20-6-10-11(7-20)14(10)17-13(22)5-9-2-3-9/h4,9-11,14H,2-3,5-7H2,1H3,(H,17,22)(H,18,21)/t10-,11+,14?
InChIKeyJMJFYEKXQMHKNE-BVUQATHDSA-N
XLogP0.07
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3aS,6aR)-2-(3-oxocyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1H-pyridazin-4-one
CID 167916355
N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
CID 155963766
3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one
CID 167826254
6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 167777693
N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide
CID 166337363
2-(4-methylcyclohexyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 136526156
6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one
CID 167843423
N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
CID 167811798
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393319
6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide
CID 155963747
[(3aR,7aS)-5-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 167866455
6-methyl-N-[[1-(2-methylpropanoyl)piperidin-2-yl]methyl]-4-oxo-1H-pyridazine-3-carboxamide
CID 167759413

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (CID 167979496) is 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is Cc1cc(=O)c(C(=O)N2C[C@@H]3C(NC(=O)CC4CC4)[C@@H]3C2)n[nH]1.
What is the InChIKey of 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The InChIKey is JMJFYEKXQMHKNE-BVUQATHDSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-8-4-12(21)15(19-18-8)16(23)20-6-10-11(7-20)14(10)17-13(22)5-9-2-3-9/h4,9-11,14H,2-3,5-7H2,1H3,(H,17,22)(H,18,21)/t10-,11+,14?.
What are the key properties of 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is sourced from PubChem (CID 167979496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).