N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide

C26H25N5O4 — CID 55581098

IUPACN-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide
SMILESCC(C)n1nc(C(=O)NNC(=O)CCNC(=O)c2ccc3ccccc3c2)c2ccccc2c1=O
InChIInChI=1S/C26H25N5O4/c1-16(2)31-26(35)21-10-6-5-9-20(21)23(30-31)25(34)29-28-22(32)13-14-27-24(33)19-12-11-17-7-3-4-8-18(17)15-19/h3-12,15-16H,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,29,34)
InChIKeyHLVNKPNLVZWACS-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.71
Rot. Bonds6

About N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide

N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide (PubChem CID 55581098) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide
PubChem CID55581098
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide
SMILESCC(C)n1nc(C(=O)NNC(=O)CCNC(=O)c2ccc3ccccc3c2)c2ccccc2c1=O
InChIInChI=1S/C26H25N5O4/c1-16(2)31-26(35)21-10-6-5-9-20(21)23(30-31)25(34)29-28-22(32)13-14-27-24(33)19-12-11-17-7-3-4-8-18(17)15-19/h3-12,15-16H,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,29,34)
InChIKeyHLVNKPNLVZWACS-UHFFFAOYSA-N
XLogP2.71
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide (CID 55581098) is N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide is CC(C)n1nc(C(=O)NNC(=O)CCNC(=O)c2ccc3ccccc3c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide?
The InChIKey is HLVNKPNLVZWACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-16(2)31-26(35)21-10-6-5-9-20(21)23(30-31)25(34)29-28-22(32)13-14-27-24(33)19-12-11-17-7-3-4-8-18(17)15-19/h3-12,15-16H,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,29,34).
What are the key properties of N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55581098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).