N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide

C16H16N4O3 — CID 108525696

IUPACN'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1cccc(C)n1)c1cccc(N)c1
InChIInChI=1S/C16H16N4O3/c1-10-5-3-8-14(18-10)19-15(22)16(23)20(11(2)21)13-7-4-6-12(17)9-13/h3-9H,17H2,1-2H3,(H,18,19,22)
InChIKeyBXRPFUHDJLMQKI-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.49
Rot. Bonds2

About N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide

N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide (PubChem CID 108525696) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
PubChem CID108525696
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1cccc(C)n1)c1cccc(N)c1
InChIInChI=1S/C16H16N4O3/c1-10-5-3-8-14(18-10)19-15(22)16(23)20(11(2)21)13-7-4-6-12(17)9-13/h3-9H,17H2,1-2H3,(H,18,19,22)
InChIKeyBXRPFUHDJLMQKI-UHFFFAOYSA-N
XLogP1.49
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-Methyl-2-pyridinyl)-N'-phenylurea
CID 306458
L-375378
CID 154118
1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 310683
2-Acetamido-6-methylpyridine
CID 220486
N-[4-[[2-(4-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 1118298
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 3240772
N-{4-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}propanamide
CID 9600790
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one
CID 658477
N-(3-fluorophenyl)-N'-(6-methyl-2-pyridinyl)urea
CID 808384
N-Phenyl-N'-pyridin-2-yl-oxalamide
CID 3147333
6-Methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 10845023

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide (CID 108525696) is N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide is CC(=O)N(C(=O)C(=O)Nc1cccc(C)n1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is BXRPFUHDJLMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-5-3-8-14(18-10)19-15(22)16(23)20(11(2)21)13-7-4-6-12(17)9-13/h3-9H,17H2,1-2H3,(H,18,19,22).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 312.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).