N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C18H18N4O2 — CID 78794453

IUPACN-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCc1ccnc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c1-11(2)22-18(24)14-7-5-4-6-13(14)16(21-22)17(23)20-15-10-12(3)8-9-19-15/h4-11H,1-3H3,(H,19,20,23)
InChIKeyDDRWRJKIJHNVEG-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.93
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 78794453) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID78794453
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCc1ccnc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c1-11(2)22-18(24)14-7-5-4-6-13(14)16(21-22)17(23)20-15-10-12(3)8-9-19-15/h4-11H,1-3H3,(H,19,20,23)
InChIKeyDDRWRJKIJHNVEG-UHFFFAOYSA-N
XLogP2.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
N-[2-(3-methylphenoxy)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78797116
4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 139008351
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46421233
N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51187330
N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78811230
N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide
CID 55786854
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N-(benzenesulfonyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 87011272
(2,4-dimethylphenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 51146939

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 78794453) is N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is Cc1ccnc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is DDRWRJKIJHNVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(2)22-18(24)14-7-5-4-6-13(14)16(21-22)17(23)20-15-10-12(3)8-9-19-15/h4-11H,1-3H3,(H,19,20,23).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 78794453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).