2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide

C18H17N5O2 — CID 126837181

IUPAC2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide
SMILESN#Cc1ccc(CC(C#N)C(=O)NCCCOc2ncccn2)cc1
InChIInChI=1S/C18H17N5O2/c19-12-15-5-3-14(4-6-15)11-16(13-20)17(24)21-9-2-10-25-18-22-7-1-8-23-18/h1,3-8,16H,2,9-11H2,(H,21,24)
InChIKeySSCNVUONNIPYPS-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.62
Rot. Bonds8

About 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide

2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide (PubChem CID 126837181) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide
PubChem CID126837181
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide
SMILESN#Cc1ccc(CC(C#N)C(=O)NCCCOc2ncccn2)cc1
InChIInChI=1S/C18H17N5O2/c19-12-15-5-3-14(4-6-15)11-16(13-20)17(24)21-9-2-10-25-18-22-7-1-8-23-18/h1,3-8,16H,2,9-11H2,(H,21,24)
InChIKeySSCNVUONNIPYPS-UHFFFAOYSA-N
XLogP1.62
TPSA111.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(4-cyanophenyl)propanoic acid
CID 91646199
(2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide
CID 129479987
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
CID 112510646
N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 138574473
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
4-(2-cyano-3-phenylpropanoyl)benzonitrile
CID 59504813
2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 104761601
2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3313060
2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 106371943
N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
CID 103094354
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide?
The IUPAC name of 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide (CID 126837181) is 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide?
The canonical SMILES for 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide is N#Cc1ccc(CC(C#N)C(=O)NCCCOc2ncccn2)cc1.
What is the InChIKey of 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide?
The InChIKey is SSCNVUONNIPYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-12-15-5-3-14(4-6-15)11-16(13-20)17(24)21-9-2-10-25-18-22-7-1-8-23-18/h1,3-8,16H,2,9-11H2,(H,21,24).
What are the key properties of 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide?
2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide has a molecular weight of 335.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide is sourced from PubChem (CID 126837181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).