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

C18H21N3O3 — CID 122278869

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)n2nc(C3CC3)ccc2=O)c1
InChIInChI=1S/C18H21N3O3/c1-12(21-17(22)9-8-16(20-21)14-6-7-14)18(23)19-11-13-4-3-5-15(10-13)24-2/h3-5,8-10,12,14H,6-7,11H2,1-2H3,(H,19,23)
InChIKeyRFEQXFUDILWPCC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.01
Rot. Bonds6

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

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 122278869) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID122278869
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)n2nc(C3CC3)ccc2=O)c1
InChIInChI=1S/C18H21N3O3/c1-12(21-17(22)9-8-16(20-21)14-6-7-14)18(23)19-11-13-4-3-5-15(10-13)24-2/h3-5,8-10,12,14H,6-7,11H2,1-2H3,(H,19,23)
InChIKeyRFEQXFUDILWPCC-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
CID 122279117
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279060
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-methoxyphenyl)propanamide
CID 122278784
(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 31933904
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 122279120
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134019664
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688907
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7666380

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 122278869) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)C(C)n2nc(C3CC3)ccc2=O)c1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is RFEQXFUDILWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(21-17(22)9-8-16(20-21)14-6-7-14)18(23)19-11-13-4-3-5-15(10-13)24-2/h3-5,8-10,12,14H,6-7,11H2,1-2H3,(H,19,23).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.01, 6 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-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 122278869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).