N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide

C15H17N3O2 — CID 95386223

IUPACN-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-9-5-4-8-12(9)16-15(20)13-10-6-2-3-7-11(10)14(19)18-17-13/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,16,20)(H,18,19)/t9-,12+/m1/s1
InChIKeyHCRGRHHRRCWEFO-SKDRFNHKSA-N
MW271.32 g/mol
LogP1.84
Rot. Bonds2

About N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 95386223) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID95386223
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-9-5-4-8-12(9)16-15(20)13-10-6-2-3-7-11(10)14(19)18-17-13/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,16,20)(H,18,19)/t9-,12+/m1/s1
InChIKeyHCRGRHHRRCWEFO-SKDRFNHKSA-N
XLogP1.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176903
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 154842859
5-amino-N-(2-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 60906370
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27856338
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251351
N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
CID 83202693
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
CID 106771845
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60704916
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 60905479

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 95386223) is N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide is C[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is HCRGRHHRRCWEFO-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-4-8-12(9)16-15(20)13-10-6-2-3-7-11(10)14(19)18-17-13/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,16,20)(H,18,19)/t9-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 95386223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).