N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide

C16H16N2O4 — CID 163392634

IUPACN-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2ccc(OCc3ccccn3)cc2O1
InChIInChI=1S/C16H16N2O4/c19-16(18-20)14-7-5-11-4-6-13(9-15(11)22-14)21-10-12-3-1-2-8-17-12/h1-4,6,8-9,14,20H,5,7,10H2,(H,18,19)
InChIKeyBNBYDAIQAKQXNO-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.86
Rot. Bonds4

About N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide

N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163392634) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163392634
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2ccc(OCc3ccccn3)cc2O1
InChIInChI=1S/C16H16N2O4/c19-16(18-20)14-7-5-11-4-6-13(9-15(11)22-14)21-10-12-3-1-2-8-17-12/h1-4,6,8-9,14,20H,5,7,10H2,(H,18,19)
InChIKeyBNBYDAIQAKQXNO-UHFFFAOYSA-N
XLogP1.86
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide (CID 163392634) is N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NO)C1CCc2ccc(OCc3ccccn3)cc2O1.
What is the InChIKey of N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is BNBYDAIQAKQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-16(18-20)14-7-5-11-4-6-13(9-15(11)22-14)21-10-12-3-1-2-8-17-12/h1-4,6,8-9,14,20H,5,7,10H2,(H,18,19).
What are the key properties of N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide?
N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163392634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).