N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

C19H21N5O2 — CID 91911669

IUPACN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1cnc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)n1C1CCC1
InChIInChI=1S/C19H21N5O2/c1-12-11-21-16(24(12)13-5-4-6-13)9-10-20-19(26)17-14-7-2-3-8-15(14)18(25)23-22-17/h2-3,7-8,11,13H,4-6,9-10H2,1H3,(H,20,26)(H,23,25)
InChIKeyLZGKSXYLBCLUKS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 91911669) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID91911669
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1cnc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)n1C1CCC1
InChIInChI=1S/C19H21N5O2/c1-12-11-21-16(24(12)13-5-4-6-13)9-10-20-19(26)17-14-7-2-3-8-15(14)18(25)23-22-17/h2-3,7-8,11,13H,4-6,9-10H2,1H3,(H,20,26)(H,23,25)
InChIKeyLZGKSXYLBCLUKS-UHFFFAOYSA-N
XLogP2.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
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N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 91911669) is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is Cc1cnc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)n1C1CCC1.
What is the InChIKey of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is LZGKSXYLBCLUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-11-21-16(24(12)13-5-4-6-13)9-10-20-19(26)17-14-7-2-3-8-15(14)18(25)23-22-17/h2-3,7-8,11,13H,4-6,9-10H2,1H3,(H,20,26)(H,23,25).
What are the key properties of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 91911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).