2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide

C17H18FN3O2 — CID 122246447

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1F)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H18FN3O2/c1-11(17(23)19-10-13-4-2-3-5-14(13)18)21-16(22)9-8-15(20-21)12-6-7-12/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,23)
InChIKeyVOFOFSZZSANGDA-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 122246447) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID122246447
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1F)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H18FN3O2/c1-11(17(23)19-10-13-4-2-3-5-14(13)18)21-16(22)9-8-15(20-21)12-6-7-12/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,23)
InChIKeyVOFOFSZZSANGDA-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122162435
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 122278984
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
CID 122279117
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 122278784
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 122279120
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 6598861
N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 97416223

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide (CID 122246447) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide is CC(C(=O)NCc1ccccc1F)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is VOFOFSZZSANGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11(17(23)19-10-13-4-2-3-5-14(13)18)21-16(22)9-8-15(20-21)12-6-7-12/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,23).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 315.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 122246447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).