N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide

C15H25N3O2 — CID 91842484

IUPACN-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C15H25N3O2/c1-5-6-7-16-14(19)10-18(4)9-13-12(3)15(20)11(2)8-17-13/h8H,5-7,9-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeySPDBNRSDJZJGLE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.34
Rot. Bonds7

About N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide

N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide (PubChem CID 91842484) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide
PubChem CID91842484
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C15H25N3O2/c1-5-6-7-16-14(19)10-18(4)9-13-12(3)15(20)11(2)8-17-13/h8H,5-7,9-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeySPDBNRSDJZJGLE-UHFFFAOYSA-N
XLogP1.34
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide (CID 91842484) is N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide is CCCCNC(=O)CN(C)Cc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide?
The InChIKey is SPDBNRSDJZJGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-6-7-16-14(19)10-18(4)9-13-12(3)15(20)11(2)8-17-13/h8H,5-7,9-10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide?
N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 91842484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).