2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide

C16H15N3O2 — CID 647672

IUPAC2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
SMILESCOc1cccc(NC(=O)C(C#N)Cc2ccncc2)c1
InChIInChI=1S/C16H15N3O2/c1-21-15-4-2-3-14(10-15)19-16(20)13(11-17)9-12-5-7-18-8-6-12/h2-8,10,13H,9H2,1H3,(H,19,20)
InChIKeyRHLKWFRWHLAEED-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.41
Rot. Bonds5

About 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide

2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide (PubChem CID 647672) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
PubChem CID647672
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
SMILESCOc1cccc(NC(=O)C(C#N)Cc2ccncc2)c1
InChIInChI=1S/C16H15N3O2/c1-21-15-4-2-3-14(10-15)19-16(20)13(11-17)9-12-5-7-18-8-6-12/h2-8,10,13H,9H2,1H3,(H,19,20)
InChIKeyRHLKWFRWHLAEED-UHFFFAOYSA-N
XLogP2.41
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide (CID 647672) is 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide is COc1cccc(NC(=O)C(C#N)Cc2ccncc2)c1.
What is the InChIKey of 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide?
The InChIKey is RHLKWFRWHLAEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-4-2-3-14(10-15)19-16(20)13(11-17)9-12-5-7-18-8-6-12/h2-8,10,13H,9H2,1H3,(H,19,20).
What are the key properties of 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide?
2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 647672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).