N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide

C15H23N3O3 — CID 121498599

IUPACN-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C15H23N3O3/c1-5-6-7-16-13(20)9-18(4)15(21)14-11(3)17-10(2)8-12(14)19/h8H,5-7,9H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyUAHBYOSWNSHNDR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide

N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 121498599) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID121498599
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C15H23N3O3/c1-5-6-7-16-13(20)9-18(4)15(21)14-11(3)17-10(2)8-12(14)19/h8H,5-7,9H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyUAHBYOSWNSHNDR-UHFFFAOYSA-N
XLogP0.98
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.98
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-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 121498599) is N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide is CCCCNC(=O)CN(C)C(=O)c1c(C)[nH]c(C)cc1=O.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UAHBYOSWNSHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-6-7-16-13(20)9-18(4)15(21)14-11(3)17-10(2)8-12(14)19/h8H,5-7,9H2,1-4H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121498599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).