5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide

C15H18N2O3 — CID 63859047

IUPAC5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cncc(O)c2)C(C)C)o1
InChIInChI=1S/C15H18N2O3/c1-10(2)17(9-14-5-4-11(3)20-14)15(19)12-6-13(18)8-16-7-12/h4-8,10,18H,9H2,1-3H3
InChIKeyKBEUALUTHXQHFJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.74
Rot. Bonds4

About 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide

5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 63859047) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID63859047
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cncc(O)c2)C(C)C)o1
InChIInChI=1S/C15H18N2O3/c1-10(2)17(9-14-5-4-11(3)20-14)15(19)12-6-13(18)8-16-7-12/h4-8,10,18H,9H2,1-3H3
InChIKeyKBEUALUTHXQHFJ-UHFFFAOYSA-N
XLogP2.74
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide (CID 63859047) is 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(CN(C(=O)c2cncc(O)c2)C(C)C)o1.
What is the InChIKey of 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is KBEUALUTHXQHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)17(9-14-5-4-11(3)20-14)15(19)12-6-13(18)8-16-7-12/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide?
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 63859047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).