2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide

C12H19N5O3 — CID 114394188

IUPAC2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCOC1CCN(c2cnn(CC(N)C(N)=O)c(=O)c2)C1
InChIInChI=1S/C12H19N5O3/c1-20-9-2-3-16(6-9)8-4-11(18)17(15-5-8)7-10(13)12(14)19/h4-5,9-10H,2-3,6-7,13H2,1H3,(H2,14,19)
InChIKeyPKUOETYGHQBCCU-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.72
Rot. Bonds5

About 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide

2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 114394188) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID114394188
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCOC1CCN(c2cnn(CC(N)C(N)=O)c(=O)c2)C1
InChIInChI=1S/C12H19N5O3/c1-20-9-2-3-16(6-9)8-4-11(18)17(15-5-8)7-10(13)12(14)19/h4-5,9-10H,2-3,6-7,13H2,1H3,(H2,14,19)
InChIKeyPKUOETYGHQBCCU-UHFFFAOYSA-N
XLogP-1.72
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-2-aminopropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920927
2-(3-amino-2-methylpropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114393796
2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
2-(5-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397171
methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
CID 114394179
propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114394176
2-(3-bromopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114394487
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397337
2-amino-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394073
2-amino-3-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394158
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819951
2-[2-(chloromethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103065891

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide (CID 114394188) is 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide is COC1CCN(c2cnn(CC(N)C(N)=O)c(=O)c2)C1.
What is the InChIKey of 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is PKUOETYGHQBCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-20-9-2-3-16(6-9)8-4-11(18)17(15-5-8)7-10(13)12(14)19/h4-5,9-10H,2-3,6-7,13H2,1H3,(H2,14,19).
What are the key properties of 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide?
2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 281.32 g/mol, XLogP of -1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 114394188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).