N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

C18H22N4O4 — CID 51043301

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESCOc1ccc(C(CNC(=O)C(=O)Nc2c[nH]ccc2=O)N(C)C)cc1
InChIInChI=1S/C18H22N4O4/c1-22(2)15(12-4-6-13(26-3)7-5-12)11-20-17(24)18(25)21-14-10-19-9-8-16(14)23/h4-10,15H,11H2,1-3H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyLFAMRLRLWAFIHQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.74
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (PubChem CID 51043301) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
PubChem CID51043301
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESCOc1ccc(C(CNC(=O)C(=O)Nc2c[nH]ccc2=O)N(C)C)cc1
InChIInChI=1S/C18H22N4O4/c1-22(2)15(12-4-6-13(26-3)7-5-12)11-20-17(24)18(25)21-14-10-19-9-8-16(14)23/h4-10,15H,11H2,1-3H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyLFAMRLRLWAFIHQ-UHFFFAOYSA-N
XLogP0.74
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 52996681
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide
CID 51971716
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide
CID 51971308
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 40890318
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
CID 55697090
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 146080958
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (CID 51043301) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is COc1ccc(C(CNC(=O)C(=O)Nc2c[nH]ccc2=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The InChIKey is LFAMRLRLWAFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-22(2)15(12-4-6-13(26-3)7-5-12)11-20-17(24)18(25)21-14-10-19-9-8-16(14)23/h4-10,15H,11H2,1-3H3,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide has a molecular weight of 358.40 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is sourced from PubChem (CID 51043301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).