N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

C14H23N3O3 — CID 61447846

IUPACN-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-5-6-7-17(8-9-18)14(20)12-10(2)11(3)15-16(4)13(12)19/h18H,5-9H2,1-4H3
InChIKeyGAMDNRDNXUZZQU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (PubChem CID 61447846) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
PubChem CID61447846
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-5-6-7-17(8-9-18)14(20)12-10(2)11(3)15-16(4)13(12)19/h18H,5-9H2,1-4H3
InChIKeyGAMDNRDNXUZZQU-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide
CID 54879576
N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 43572955
N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059239
2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide
CID 95614526
3-[ethyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoic acid
CID 62827245
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277
2-[tert-butyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 79262253
4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 65359533
1-butyl-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)urea
CID 110892708
N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 115771592
N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 103874312

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (CID 61447846) is N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is CCCCN(CCO)C(=O)c1c(C)c(C)nn(C)c1=O.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is GAMDNRDNXUZZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-6-7-17(8-9-18)14(20)12-10(2)11(3)15-16(4)13(12)19/h18H,5-9H2,1-4H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 61447846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).