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

C13H21N3O2 — CID 114040308

IUPACN-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)10-6-9-14-13(18)11-7-5-8-12(17)15-11/h5,7-8H,3-4,6,9-10H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyZIXZMZOXPDOKSS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds7

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

N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040308) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040308
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)10-6-9-14-13(18)11-7-5-8-12(17)15-11/h5,7-8H,3-4,6,9-10H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyZIXZMZOXPDOKSS-UHFFFAOYSA-N
XLogP0.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
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
6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
CID 107261519
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
6-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-pyridine-2-carboxamide
CID 107261483
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[2-(2-methoxyethylamino)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040293
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide (CID 114040308) is N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide is CCN(CC)CCCNC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ZIXZMZOXPDOKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16(4-2)10-6-9-14-13(18)11-7-5-8-12(17)15-11/h5,7-8H,3-4,6,9-10H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).