6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide

C16H16N2O3 — CID 110697549

IUPAC6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(=O)oc1
InChIInChI=1S/C16H16N2O3/c19-15-8-3-12(11-21-15)16(20)17-13-4-6-14(7-5-13)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,17,20)
InChIKeyISZDNNRVOOGQJX-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.49
Rot. Bonds3

About 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide

6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide (PubChem CID 110697549) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide
PubChem CID110697549
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(=O)oc1
InChIInChI=1S/C16H16N2O3/c19-15-8-3-12(11-21-15)16(20)17-13-4-6-14(7-5-13)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,17,20)
InChIKeyISZDNNRVOOGQJX-UHFFFAOYSA-N
XLogP2.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide (CID 110697549) is 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide?
The InChIKey is ISZDNNRVOOGQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15-8-3-12(11-21-15)16(20)17-13-4-6-14(7-5-13)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,17,20).
What are the key properties of 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide?
6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4-pyrrolidin-1-ylphenyl)pyran-3-carboxamide is sourced from PubChem (CID 110697549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).