N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide

C15H15N3O2 — CID 100904519

IUPACN-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)C1=CCCCO1
InChIInChI=1S/C15H15N3O2/c19-15(14-7-3-4-10-20-14)17-12-5-1-2-6-13(12)18-9-8-16-11-18/h1-2,5-9,11H,3-4,10H2,(H,17,19)
InChIKeyLQOUQPHMUHAXND-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.51
Rot. Bonds3

About N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 100904519) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID100904519
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)C1=CCCCO1
InChIInChI=1S/C15H15N3O2/c19-15(14-7-3-4-10-20-14)17-12-5-1-2-6-13(12)18-9-8-16-11-18/h1-2,5-9,11H,3-4,10H2,(H,17,19)
InChIKeyLQOUQPHMUHAXND-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 100904519) is N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1-n1ccnc1)C1=CCCCO1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is LQOUQPHMUHAXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(14-7-3-4-10-20-14)17-12-5-1-2-6-13(12)18-9-8-16-11-18/h1-2,5-9,11H,3-4,10H2,(H,17,19).
What are the key properties of N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 100904519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).