N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C18H31N3O2 — CID 44776197

IUPACN-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(CCCC)CCNC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C18H31N3O2/c1-5-7-10-21(11-8-6-2)12-9-19-17(22)16-14(3)13-15(4)20-18(16)23/h13H,5-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyIVCCYMVCOYSXOT-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.62
Rot. Bonds10

About N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 44776197) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID44776197
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(CCCC)CCNC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C18H31N3O2/c1-5-7-10-21(11-8-6-2)12-9-19-17(22)16-14(3)13-15(4)20-18(16)23/h13H,5-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyIVCCYMVCOYSXOT-UHFFFAOYSA-N
XLogP2.62
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 44776197) is N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is CCCCN(CCCC)CCNC(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IVCCYMVCOYSXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-7-10-21(11-8-6-2)12-9-19-17(22)16-14(3)13-15(4)20-18(16)23/h13H,5-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 44776197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).