N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide

C23H20N4O2 — CID 166194800

IUPACN-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
SMILESCc1ccccc1CN(Cc1ccccn1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O2/c1-16-8-2-3-9-17(16)14-27(15-18-10-6-7-13-24-18)23(29)21-19-11-4-5-12-20(19)22(28)26-25-21/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeySXCJFTGTUJVTJR-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide

N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide (PubChem CID 166194800) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
PubChem CID166194800
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
SMILESCc1ccccc1CN(Cc1ccccn1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O2/c1-16-8-2-3-9-17(16)14-27(15-18-10-6-7-13-24-18)23(29)21-19-11-4-5-12-20(19)22(28)26-25-21/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeySXCJFTGTUJVTJR-UHFFFAOYSA-N
XLogP3.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 60610103
3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 86940896
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32567639
N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
CID 78901933
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 63691834
N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
CID 52768641

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide (CID 166194800) is N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide is Cc1ccccc1CN(Cc1ccccn1)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide?
The InChIKey is SXCJFTGTUJVTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16-8-2-3-9-17(16)14-27(15-18-10-6-7-13-24-18)23(29)21-19-11-4-5-12-20(19)22(28)26-25-21/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide?
N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 166194800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).