N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C20H26N4O2 — CID 119458817

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)NC2CC3CCC(C2)N3)c2ccccc2c1=O
InChIInChI=1S/C20H26N4O2/c1-12(2)11-24-20(26)17-6-4-3-5-16(17)18(23-24)19(25)22-15-9-13-7-8-14(10-15)21-13/h3-6,12-15,21H,7-11H2,1-2H3,(H,22,25)
InChIKeyLAXGZPRCWYVVLJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.07
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 119458817) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID119458817
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)NC2CC3CCC(C2)N3)c2ccccc2c1=O
InChIInChI=1S/C20H26N4O2/c1-12(2)11-24-20(26)17-6-4-3-5-16(17)18(23-24)19(25)22-15-9-13-7-8-14(10-15)21-13/h3-6,12-15,21H,7-11H2,1-2H3,(H,22,25)
InChIKeyLAXGZPRCWYVVLJ-UHFFFAOYSA-N
XLogP2.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide with MolForge

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Related Compounds

3-(2-methylpropyl)-4-oxo-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide
CID 55501814
N-(3-methylpiperidin-4-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
CID 120557452
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55710882
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-(2-methylpropyl)phthalazin-1-one;hydrochloride
CID 119638650
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9087740
3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide
CID 119558691
N-[3-(cyclopropylmethoxy)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51222711
N-(2-amino-1-cyclohexylethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119591581
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55451386
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 8939443
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 119458817) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)NC2CC3CCC(C2)N3)c2ccccc2c1=O.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is LAXGZPRCWYVVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12(2)11-24-20(26)17-6-4-3-5-16(17)18(23-24)19(25)22-15-9-13-7-8-14(10-15)21-13/h3-6,12-15,21H,7-11H2,1-2H3,(H,22,25).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 119458817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).