1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide

C24H25N7O5 — CID 55568713

IUPAC1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2c1=O
InChIInChI=1S/C24H25N7O5/c1-4-5-8-13-31-23(35)15-10-7-6-9-14(15)18(28-31)21(33)27-26-20(32)17-12-11-16-19(25-17)29(2)24(36)30(3)22(16)34/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,26,32)(H,27,33)
InChIKeySETOBCRYZWQYEW-UHFFFAOYSA-N
MW491.51 g/mol
LogP0.61
Rot. Bonds6

About 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide

1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide (PubChem CID 55568713) has the molecular formula C24H25N7O5 and a molecular weight of 491.51 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide
PubChem CID55568713
Molecular FormulaC24H25N7O5
Molecular Weight491.51 g/mol
Exact Mass491.19
IUPAC Name1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2c1=O
InChIInChI=1S/C24H25N7O5/c1-4-5-8-13-31-23(35)15-10-7-6-9-14(15)18(28-31)21(33)27-26-20(32)17-12-11-16-19(25-17)29(2)24(36)30(3)22(16)34/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,26,32)(H,27,33)
InChIKeySETOBCRYZWQYEW-UHFFFAOYSA-N
XLogP0.61
TPSA149.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
N'-(2-butylsulfanylpropanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55923112
3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2532386
3-butyl-N'-(1H-indazole-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 40672341
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
N'-(3-methyl-3-phenylbutanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 60596220
ethyl 2-methyl-6-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]pyridine-3-carboxylate
CID 55630447

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide (CID 55568713) is 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide?
The InChIKey is SETOBCRYZWQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O5/c1-4-5-8-13-31-23(35)15-10-7-6-9-14(15)18(28-31)21(33)27-26-20(32)17-12-11-16-19(25-17)29(2)24(36)30(3)22(16)34/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,26,32)(H,27,33).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide?
1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide has a molecular weight of 491.51 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide is sourced from PubChem (CID 55568713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).