N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide

C23H26N6O3 — CID 75392016

IUPACN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)C(=O)NC(Cc1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C23H26N6O3/c1-15-8-10-16(11-9-15)13-18(17-7-5-6-12-24-17)27-21(30)22(31)28-19-20(29(2)3)25-14-26-23(19)32-4/h5-12,14,18H,13H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyZDZNJBAIKBVFHZ-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.29
Rot. Bonds7

About N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide

N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide (PubChem CID 75392016) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
PubChem CID75392016
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)C(=O)NC(Cc1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C23H26N6O3/c1-15-8-10-16(11-9-15)13-18(17-7-5-6-12-24-17)27-21(30)22(31)28-19-20(29(2)3)25-14-26-23(19)32-4/h5-12,14,18H,13H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyZDZNJBAIKBVFHZ-UHFFFAOYSA-N
XLogP2.29
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide?
The IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide (CID 75392016) is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide?
The canonical SMILES for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide is COc1ncnc(N(C)C)c1NC(=O)C(=O)NC(Cc1ccc(C)cc1)c1ccccn1.
What is the InChIKey of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide?
The InChIKey is ZDZNJBAIKBVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15-8-10-16(11-9-15)13-18(17-7-5-6-12-24-17)27-21(30)22(31)28-19-20(29(2)3)25-14-26-23(19)32-4/h5-12,14,18H,13H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide?
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide has a molecular weight of 434.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide is sourced from PubChem (CID 75392016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).