N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide

C16H17N3O2 — CID 110179055

IUPACN-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(Nc2cccc(C)c2)nc1
InChIInChI=1S/C16H17N3O2/c1-11-4-3-5-13(8-11)18-15-7-6-14(10-17-15)19-16(21)9-12(2)20/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyCEZWBDXGALICEQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds5

About N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide

N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide (PubChem CID 110179055) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
PubChem CID110179055
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(Nc2cccc(C)c2)nc1
InChIInChI=1S/C16H17N3O2/c1-11-4-3-5-13(8-11)18-15-7-6-14(10-17-15)19-16(21)9-12(2)20/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyCEZWBDXGALICEQ-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018155
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide?
The IUPAC name of N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide (CID 110179055) is N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide.
What is the SMILES notation for N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide?
The canonical SMILES for N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(Nc2cccc(C)c2)nc1.
What is the InChIKey of N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide?
The InChIKey is CEZWBDXGALICEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-4-3-5-13(8-11)18-15-7-6-14(10-17-15)19-16(21)9-12(2)20/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide?
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide has a molecular weight of 283.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide is sourced from PubChem (CID 110179055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).