3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide

C18H18N4O2 — CID 133456857

IUPAC3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCC(=O)c1ccc(C#N)c(NCCC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C18H18N4O2/c1-12-4-3-5-17(21-12)22-18(24)8-9-20-16-10-14(13(2)23)6-7-15(16)11-19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22,24)
InChIKeyQSCWXDJYDFELAJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.90
Rot. Bonds6

About 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide

3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 133456857) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID133456857
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCC(=O)c1ccc(C#N)c(NCCC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C18H18N4O2/c1-12-4-3-5-17(21-12)22-18(24)8-9-20-16-10-14(13(2)23)6-7-15(16)11-19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22,24)
InChIKeyQSCWXDJYDFELAJ-UHFFFAOYSA-N
XLogP2.90
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288
3-[(6-cyano-3-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 86782085
4-acetyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 133466054
N-[4-[(5-acetyl-2-cyanoanilino)methyl]phenyl]butanamide
CID 133456249
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
4-(5-acetyl-2-cyanoanilino)-N-cyclopropylbutanamide
CID 133456217
4-acetyl-2-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 133465882
4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile
CID 133442887
4-acetyl-2-[2-(4-methoxyphenoxy)ethylamino]benzonitrile
CID 133466180
4-acetyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]benzonitrile
CID 133457332
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23889380

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide (CID 133456857) is 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide is CC(=O)c1ccc(C#N)c(NCCC(=O)Nc2cccc(C)n2)c1.
What is the InChIKey of 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is QSCWXDJYDFELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-4-3-5-17(21-12)22-18(24)8-9-20-16-10-14(13(2)23)6-7-15(16)11-19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22,24).
What are the key properties of 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide?
3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-2-cyanoanilino)-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 133456857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).