N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide

C18H22N4O2 — CID 108530624

IUPACN-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C18H22N4O2/c1-4-22(5-2)15-8-6-14(7-9-15)20-17(23)18(24)21-16-12-13(3)10-11-19-16/h6-12H,4-5H2,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyKOCAFPXUHKIQOE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.81
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide

N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide (PubChem CID 108530624) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
PubChem CID108530624
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C18H22N4O2/c1-4-22(5-2)15-8-6-14(7-9-15)20-17(23)18(24)21-16-12-13(3)10-11-19-16/h6-12H,4-5H2,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyKOCAFPXUHKIQOE-UHFFFAOYSA-N
XLogP2.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530485
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530336
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
CID 71847661
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
N'-(2-ethyl-6-methylphenyl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108512163
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
N-(2,4-dichlorophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108502942

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide (CID 108530624) is N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is KOCAFPXUHKIQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-22(5-2)15-8-6-14(7-9-15)20-17(23)18(24)21-16-12-13(3)10-11-19-16/h6-12H,4-5H2,1-3H3,(H,20,23)(H,19,21,24).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide?
N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108530624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).