N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

C28H28N6O3 — CID 118622458

IUPACN-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCn2ccc(NC(=O)Cc3ccccc3)nc2=O)nn1
InChIInChI=1S/C28H28N6O3/c35-26(19-21-9-3-1-4-10-21)29-24-16-18-34(28(37)31-24)17-8-7-13-23-14-15-25(33-32-23)30-27(36)20-22-11-5-2-6-12-22/h1-6,9-12,14-16,18H,7-8,13,17,19-20H2,(H,30,33,36)(H,29,31,35,37)
InChIKeyBSVKBSSSPTWGTP-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.42
Rot. Bonds11

About N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide (PubChem CID 118622458) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
PubChem CID118622458
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC NameN-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCn2ccc(NC(=O)Cc3ccccc3)nc2=O)nn1
InChIInChI=1S/C28H28N6O3/c35-26(19-21-9-3-1-4-10-21)29-24-16-18-34(28(37)31-24)17-8-7-13-23-14-15-25(33-32-23)30-27(36)20-22-11-5-2-6-12-22/h1-6,9-12,14-16,18H,7-8,13,17,19-20H2,(H,30,33,36)(H,29,31,35,37)
InChIKeyBSVKBSSSPTWGTP-UHFFFAOYSA-N
XLogP3.42
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118174196
N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422384
N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593164
N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593463
N-phenethyl-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 16035660
6-[4-(2-TRIFLUOROMETHYLBENZOYL)-PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-PHENYLPROPYL)AMIDE
CID 16035762
N-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66849498
2-phenyl-N-[6-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]pyridazin-3-yl]acetamide
CID 89596759
N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422444
N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24790604
N-[3-[6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridazin-3-yl]phenyl]acetamide;hydrate;dihydrochloride
CID 49860490

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide (CID 118622458) is N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(CCCCn2ccc(NC(=O)Cc3ccccc3)nc2=O)nn1.
What is the InChIKey of N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The InChIKey is BSVKBSSSPTWGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c35-26(19-21-9-3-1-4-10-21)29-24-16-18-34(28(37)31-24)17-8-7-13-23-14-15-25(33-32-23)30-27(36)20-22-11-5-2-6-12-22/h1-6,9-12,14-16,18H,7-8,13,17,19-20H2,(H,30,33,36)(H,29,31,35,37).
What are the key properties of N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide has a molecular weight of 496.57 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 118622458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).