2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

C18H22N4O3 — CID 122162421

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)25-18-14(4-3-9-19-18)10-20-16(23)11-22-17(24)8-7-15(21-22)13-5-6-13/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H,20,23)
InChIKeyQAZXDWPGMQKNHR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.62
Rot. Bonds7

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (PubChem CID 122162421) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
PubChem CID122162421
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)25-18-14(4-3-9-19-18)10-20-16(23)11-22-17(24)8-7-15(21-22)13-5-6-13/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H,20,23)
InChIKeyQAZXDWPGMQKNHR-UHFFFAOYSA-N
XLogP1.62
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (CID 122162421) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is CC(C)Oc1ncccc1CNC(=O)Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is QAZXDWPGMQKNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)25-18-14(4-3-9-19-18)10-20-16(23)11-22-17(24)8-7-15(21-22)13-5-6-13/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 122162421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).