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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Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-6-methyl-
CID 454341
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
CID 59268968
N-[2-(diethylamino)ethyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444316
N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444317
6-methyl-2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 72046979
N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1,2-dihydropyridine-3-carboxamide
CID 71859348
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
N-(2-amino-2-oxoethyl)-2-hydroxy-4,6-dimethylnicotinamide
CID 60715860
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
3-(azocane-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 72030073
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413

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).