N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide

C17H28N4O3 — CID 20596350

IUPACN-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NCCN(CC(=O)C(C)C)C(=O)CCc1ccc(=O)[nH]n1
InChIInChI=1S/C17H28N4O3/c1-12(2)15(22)11-21(10-9-18-13(3)4)17(24)8-6-14-5-7-16(23)20-19-14/h5,7,12-13,18H,6,8-11H2,1-4H3,(H,20,23)
InChIKeyJTBXTVFRPWZXQA-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.75
Rot. Bonds10

About N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide

N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 20596350) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide
PubChem CID20596350
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NCCN(CC(=O)C(C)C)C(=O)CCc1ccc(=O)[nH]n1
InChIInChI=1S/C17H28N4O3/c1-12(2)15(22)11-21(10-9-18-13(3)4)17(24)8-6-14-5-7-16(23)20-19-14/h5,7,12-13,18H,6,8-11H2,1-4H3,(H,20,23)
InChIKeyJTBXTVFRPWZXQA-UHFFFAOYSA-N
XLogP0.75
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide (CID 20596350) is N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide is CC(C)NCCN(CC(=O)C(C)C)C(=O)CCc1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is JTBXTVFRPWZXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12(2)15(22)11-21(10-9-18-13(3)4)17(24)8-6-14-5-7-16(23)20-19-14/h5,7,12-13,18H,6,8-11H2,1-4H3,(H,20,23).
What are the key properties of N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutyl)-3-(6-oxo-1H-pyridazin-3-yl)-N-[2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 20596350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).