N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide

C16H22N4O3 — CID 155963766

IUPACN-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCc1cc(=O)c(C(=O)N2CC[C@H](CNC(=O)C3CCC3)C2)n[nH]1
InChIInChI=1S/C16H22N4O3/c1-10-7-13(21)14(19-18-10)16(23)20-6-5-11(9-20)8-17-15(22)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,21)/t11-/m1/s1
InChIKeyQTBQOBAWYYRGDK-LLVKDONJSA-N
MW318.38 g/mol
LogP0.46
Rot. Bonds4

About N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide

N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 155963766) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
PubChem CID155963766
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCc1cc(=O)c(C(=O)N2CC[C@H](CNC(=O)C3CCC3)C2)n[nH]1
InChIInChI=1S/C16H22N4O3/c1-10-7-13(21)14(19-18-10)16(23)20-6-5-11(9-20)8-17-15(22)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,21)/t11-/m1/s1
InChIKeyQTBQOBAWYYRGDK-LLVKDONJSA-N
XLogP0.46
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide (CID 155963766) is N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide is Cc1cc(=O)c(C(=O)N2CC[C@H](CNC(=O)C3CCC3)C2)n[nH]1.
What is the InChIKey of N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
The InChIKey is QTBQOBAWYYRGDK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-7-13(21)14(19-18-10)16(23)20-6-5-11(9-20)8-17-15(22)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,21)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide?
N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 155963766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).