6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide

C14H20N2O4 — CID 107261499

IUPAC6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
SMILESO=C(NCCCOCC1CCCO1)c1cccc(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c17-13-6-1-5-12(16-13)14(18)15-7-3-8-19-10-11-4-2-9-20-11/h1,5-6,11H,2-4,7-10H2,(H,15,18)(H,16,17)
InChIKeyHCQSYPUFNAXCBJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.69
Rot. Bonds7

About 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide

6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide (PubChem CID 107261499) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
PubChem CID107261499
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
SMILESO=C(NCCCOCC1CCCO1)c1cccc(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c17-13-6-1-5-12(16-13)14(18)15-7-3-8-19-10-11-4-2-9-20-11/h1,5-6,11H,2-4,7-10H2,(H,15,18)(H,16,17)
InChIKeyHCQSYPUFNAXCBJ-UHFFFAOYSA-N
XLogP0.69
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
CID 95625533
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide (CID 107261499) is 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide is O=C(NCCCOCC1CCCO1)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide?
The InChIKey is HCQSYPUFNAXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-13-6-1-5-12(16-13)14(18)15-7-3-8-19-10-11-4-2-9-20-11/h1,5-6,11H,2-4,7-10H2,(H,15,18)(H,16,17).
What are the key properties of 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide?
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).