N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide

C14H22N4O2 — CID 103218030

IUPACN-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C14H22N4O2/c1-4-14(2,3)16-12(19)9-18-13(20)8-11-10(17-18)6-5-7-15-11/h8,15H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyNQLPWRBHKWCMOO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.91
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide

N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide (PubChem CID 103218030) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
PubChem CID103218030
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C14H22N4O2/c1-4-14(2,3)16-12(19)9-18-13(20)8-11-10(17-18)6-5-7-15-11/h8,15H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyNQLPWRBHKWCMOO-UHFFFAOYSA-N
XLogP0.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
CID 103217982
N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
CID 103218132
2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103217939
N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483585
2-(3-ethylsulfonylpropyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218005
2-(3-ethoxypropyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218153
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218160
N-(2-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313939
2-[(3-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218011
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218042

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide (CID 103218030) is N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1nc2c(cc1=O)NCCC2.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The InChIKey is NQLPWRBHKWCMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-14(2,3)16-12(19)9-18-13(20)8-11-10(17-18)6-5-7-15-11/h8,15H,4-7,9H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 103218030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).