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

C14H23N3O2 — CID 103717570

IUPAC6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCN(C)C(C)C)c[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)17(4)7-5-6-15-14(19)12-9-16-11(3)8-13(12)18/h8-10H,5-7H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyAKDOVFAWDIAACD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.14
Rot. Bonds6

About 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103717570) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103717570
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCN(C)C(C)C)c[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)17(4)7-5-6-15-14(19)12-9-16-11(3)8-13(12)18/h8-10H,5-7H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyAKDOVFAWDIAACD-UHFFFAOYSA-N
XLogP1.14
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.14
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-[2-[butan-2-yl(methyl)amino]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717923
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718186
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 104860774

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103717570) is 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCCN(C)C(C)C)c[nH]1.
What is the InChIKey of 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AKDOVFAWDIAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17(4)7-5-6-15-14(19)12-9-16-11(3)8-13(12)18/h8-10H,5-7H2,1-4H3,(H,15,19)(H,16,18).
What are the key properties of 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).