N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide

C16H15N3O3 — CID 141478662

IUPACN-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C16H15N3O3/c1-21-7-8-22-15-5-4-14(9-13(15)10-17)19-16(20)12-3-2-6-18-11-12/h2-6,9,11H,7-8H2,1H3,(H,19,20)
InChIKeyBERPHZJYXOEMIJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.23
Rot. Bonds6

About N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide

N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 141478662) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
PubChem CID141478662
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C16H15N3O3/c1-21-7-8-22-15-5-4-14(9-13(15)10-17)19-16(20)12-3-2-6-18-11-12/h2-6,9,11H,7-8H2,1H3,(H,19,20)
InChIKeyBERPHZJYXOEMIJ-UHFFFAOYSA-N
XLogP2.23
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide (CID 141478662) is N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide is COCCOc1ccc(NC(=O)c2cccnc2)cc1C#N.
What is the InChIKey of N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is BERPHZJYXOEMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-7-8-22-15-5-4-14(9-13(15)10-17)19-16(20)12-3-2-6-18-11-12/h2-6,9,11H,7-8H2,1H3,(H,19,20).
What are the key properties of N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 141478662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).