6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide

C12H18N2O3 — CID 107261519

IUPAC6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-8-4-7-13-12(16)10-5-3-6-11(15)14-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGWUQAUKCWYRUSW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.92
Rot. Bonds6

About 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide

6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide (PubChem CID 107261519) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
PubChem CID107261519
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-8-4-7-13-12(16)10-5-3-6-11(15)14-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGWUQAUKCWYRUSW-UHFFFAOYSA-N
XLogP0.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261784
N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
CID 106129299
N-[2-(2-methoxyethylamino)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040293
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040308
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 103846215
6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 131890612
5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 39983958
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide (CID 107261519) is 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide is CC(C)OCCCNC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide?
The InChIKey is GWUQAUKCWYRUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)17-8-4-7-13-12(16)10-5-3-6-11(15)14-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide?
6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).