4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid

C14H21N3O4 — CID 62044160

IUPAC4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
SMILESCc1nn(C)c(=O)c(C(=O)NC(C)(C)CCC(=O)O)c1C
InChIInChI=1S/C14H21N3O4/c1-8-9(2)16-17(5)13(21)11(8)12(20)15-14(3,4)7-6-10(18)19/h6-7H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyRIDPSCOABGAEII-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.77
Rot. Bonds5

About 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid

4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid (PubChem CID 62044160) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
PubChem CID62044160
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
SMILESCc1nn(C)c(=O)c(C(=O)NC(C)(C)CCC(=O)O)c1C
InChIInChI=1S/C14H21N3O4/c1-8-9(2)16-17(5)13(21)11(8)12(20)15-14(3,4)7-6-10(18)19/h6-7H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyRIDPSCOABGAEII-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid (CID 62044160) is 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid is Cc1nn(C)c(=O)c(C(=O)NC(C)(C)CCC(=O)O)c1C.
What is the InChIKey of 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid?
The InChIKey is RIDPSCOABGAEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8-9(2)16-17(5)13(21)11(8)12(20)15-14(3,4)7-6-10(18)19/h6-7H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid?
4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62044160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).