N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide

C16H15N3O2 — CID 63172291

IUPACN-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1cccn(CCC(=O)Nc2ccccc2C#N)c1=O
InChIInChI=1S/C16H15N3O2/c1-12-5-4-9-19(16(12)21)10-8-15(20)18-14-7-3-2-6-13(14)11-17/h2-7,9H,8,10H2,1H3,(H,18,20)
InChIKeyYTRRDQSBYOTAKK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.06
Rot. Bonds4

About N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide

N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 63172291) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
PubChem CID63172291
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1cccn(CCC(=O)Nc2ccccc2C#N)c1=O
InChIInChI=1S/C16H15N3O2/c1-12-5-4-9-19(16(12)21)10-8-15(20)18-14-7-3-2-6-13(14)11-17/h2-7,9H,8,10H2,1H3,(H,18,20)
InChIKeyYTRRDQSBYOTAKK-UHFFFAOYSA-N
XLogP2.06
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
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N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
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N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
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N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide (CID 63172291) is N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide is Cc1cccn(CCC(=O)Nc2ccccc2C#N)c1=O.
What is the InChIKey of N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is YTRRDQSBYOTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-5-4-9-19(16(12)21)10-8-15(20)18-14-7-3-2-6-13(14)11-17/h2-7,9H,8,10H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 63172291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).