N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide

C14H24N4O3 — CID 103221587

IUPACN-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1ncc(NCC(C)C)cc1=O
InChIInChI=1S/C14H24N4O3/c1-10(2)6-15-12-5-14(20)18(16-7-12)8-13(19)17-11(3)9-21-4/h5,7,10-11,15H,6,8-9H2,1-4H3,(H,17,19)
InChIKeyZWXOEGBQPCPPTF-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.46
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 103221587) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID103221587
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1ncc(NCC(C)C)cc1=O
InChIInChI=1S/C14H24N4O3/c1-10(2)6-15-12-5-14(20)18(16-7-12)8-13(19)17-11(3)9-21-4/h5,7,10-11,15H,6,8-9H2,1-4H3,(H,17,19)
InChIKeyZWXOEGBQPCPPTF-UHFFFAOYSA-N
XLogP0.46
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
5-[2-(Methylamino)ethylamino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223724
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103366656
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393556
5-[2-Methoxyethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397569
Ethyl 2-(6-oxo-4-(piperazin-1-yl)pyridazin-1(6H)-yl)acetate
CID 42544148
2-[4-(4-morpholinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56888314
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 72875705
(2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide
CID 95711982
(2R)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide
CID 95711983

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide (CID 103221587) is N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide is COCC(C)NC(=O)Cn1ncc(NCC(C)C)cc1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ZWXOEGBQPCPPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)6-15-12-5-14(20)18(16-7-12)8-13(19)17-11(3)9-21-4/h5,7,10-11,15H,6,8-9H2,1-4H3,(H,17,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103221587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).