1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide

C13H21N3O2 — CID 74237704

IUPAC1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide
SMILESCNCCCCNC(=O)c1ccc(C)n(C)c1=O
InChIInChI=1S/C13H21N3O2/c1-10-6-7-11(13(18)16(10)3)12(17)15-9-5-4-8-14-2/h6-7,14H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyUEQFWLACPXNGJH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.42
Rot. Bonds6

About 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide

1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide (PubChem CID 74237704) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide
PubChem CID74237704
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide
SMILESCNCCCCNC(=O)c1ccc(C)n(C)c1=O
InChIInChI=1S/C13H21N3O2/c1-10-6-7-11(13(18)16(10)3)12(17)15-9-5-4-8-14-2/h6-7,14H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyUEQFWLACPXNGJH-UHFFFAOYSA-N
XLogP0.42
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.42
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

1-methyl-N-[4-(methylamino)butyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 74250998
1-(4-fluorophenyl)-2,5-dimethyl-N-[3-(methylamino)propyl]pyrrole-3-carboxamide;hydrochloride
CID 119432577
N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
CID 119429870
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025190
7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
CID 28791167
1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
CID 84555556
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide (CID 74237704) is 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide is CNCCCCNC(=O)c1ccc(C)n(C)c1=O.
What is the InChIKey of 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide?
The InChIKey is UEQFWLACPXNGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-6-7-11(13(18)16(10)3)12(17)15-9-5-4-8-14-2/h6-7,14H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide?
1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[4-(methylamino)butyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 74237704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).