N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide

C13H21N3O2 — CID 106039021

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)16(3)8-4-6-15-13(18)11-9-14-7-5-12(11)17/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyOCJCUVPBOMDLJE-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.83
Rot. Bonds6

About N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide

N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 106039021) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID106039021
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)16(3)8-4-6-15-13(18)11-9-14-7-5-12(11)17/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyOCJCUVPBOMDLJE-UHFFFAOYSA-N
XLogP0.83
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.83
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

6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
4-oxo-N-(2-sulfamoylethyl)-1H-pyridine-3-carboxamide
CID 103386588
N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106308005
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337377
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide (CID 106039021) is N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide is CC(C)N(C)CCCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OCJCUVPBOMDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16(3)8-4-6-15-13(18)11-9-14-7-5-12(11)17/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106039021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).