N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide

C17H16N2O2 — CID 176582558

IUPACN-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C3CC3)c2)cnc1C=O
InChIInChI=1S/C17H16N2O2/c1-11(21)19-16-8-15(9-18-17(16)10-20)14-4-2-3-13(7-14)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,21)
InChIKeyMLGXZRRKFLKVMI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.40
Rot. Bonds4

About N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide

N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide (PubChem CID 176582558) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide
PubChem CID176582558
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C3CC3)c2)cnc1C=O
InChIInChI=1S/C17H16N2O2/c1-11(21)19-16-8-15(9-18-17(16)10-20)14-4-2-3-13(7-14)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,21)
InChIKeyMLGXZRRKFLKVMI-UHFFFAOYSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide (CID 176582558) is N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cccc(C3CC3)c2)cnc1C=O.
What is the InChIKey of N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide?
The InChIKey is MLGXZRRKFLKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(21)19-16-8-15(9-18-17(16)10-20)14-4-2-3-13(7-14)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,21).
What are the key properties of N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide?
N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide is sourced from PubChem (CID 176582558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).