2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide

C16H18N4O2 — CID 122279178

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)C(C)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H18N4O2/c1-10-7-8-17-9-14(10)18-16(22)11(2)20-15(21)6-5-13(19-20)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,18,22)
InChIKeyKGJYHAZGYOKLLJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.02
Rot. Bonds4

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide (PubChem CID 122279178) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide
PubChem CID122279178
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)C(C)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H18N4O2/c1-10-7-8-17-9-14(10)18-16(22)11(2)20-15(21)6-5-13(19-20)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,18,22)
InChIKeyKGJYHAZGYOKLLJ-UHFFFAOYSA-N
XLogP2.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide (CID 122279178) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide is Cc1ccncc1NC(=O)C(C)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide?
The InChIKey is KGJYHAZGYOKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-7-8-17-9-14(10)18-16(22)11(2)20-15(21)6-5-13(19-20)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,18,22).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide has a molecular weight of 298.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 122279178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).