3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide

C18H21N3O2 — CID 51103073

IUPAC3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(CC(=O)NCCC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-3-6-15(7-4-13)11-18(23)19-10-9-17(22)21-16-8-5-14(2)12-20-16/h3-8,12H,9-11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyCTAUMIVFXJFNEU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.39
Rot. Bonds6

About 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide

3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 51103073) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID51103073
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(CC(=O)NCCC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-3-6-15(7-4-13)11-18(23)19-10-9-17(22)21-16-8-5-14(2)12-20-16/h3-8,12H,9-11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyCTAUMIVFXJFNEU-UHFFFAOYSA-N
XLogP2.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111135258
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
N-(5-methyl-2-pyridinyl)-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109473511
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
N-(5-methyl-2-pyridinyl)-3-[(6-methylpyrimidin-4-yl)amino]propanamide
CID 133301210

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide (CID 51103073) is 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(CC(=O)NCCC(=O)Nc2ccc(C)cn2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is CTAUMIVFXJFNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-3-6-15(7-4-13)11-18(23)19-10-9-17(22)21-16-8-5-14(2)12-20-16/h3-8,12H,9-11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide?
3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 51103073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).