N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

C12H18N4O3 — CID 30696290

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)13-10(18)7-16(4)11(19)8-5-6-9(17)15-14-8/h5-6H,7H2,1-4H3,(H,13,18)(H,15,17)
InChIKeyCPGKWFFYRQICOG-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.24
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30696290) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30696290
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H18N4O3/c1-12(2,3)13-10(18)7-16(4)11(19)8-5-6-9(17)15-14-8/h5-6H,7H2,1-4H3,(H,13,18)(H,15,17)
InChIKeyCPGKWFFYRQICOG-UHFFFAOYSA-N
XLogP-0.24
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (CID 30696290) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CPGKWFFYRQICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,3)13-10(18)7-16(4)11(19)8-5-6-9(17)15-14-8/h5-6H,7H2,1-4H3,(H,13,18)(H,15,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30696290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).