N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide

C14H17N3O2 — CID 43420954

IUPACN-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)CN(C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-9(2)8-17(3)14(19)12-10-6-4-5-7-11(10)13(18)16-15-12/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyCYWRJKPXVWOPIV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide

N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 43420954) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID43420954
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)CN(C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-9(2)8-17(3)14(19)12-10-6-4-5-7-11(10)13(18)16-15-12/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyCYWRJKPXVWOPIV-UHFFFAOYSA-N
XLogP1.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564
N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide
CID 27848904
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-phthalazine-1-carboxamide
CID 64510670
N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 43397900
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18113901
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 43420954) is N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide is CC(C)CN(C)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is CYWRJKPXVWOPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)8-17(3)14(19)12-10-6-4-5-7-11(10)13(18)16-15-12/h4-7,9H,8H2,1-3H3,(H,16,18).
What are the key properties of N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 43420954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).