3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide

C19H24N4O2 — CID 154757231

IUPAC3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide
SMILESCc1cccc(CC2CN(C(=O)Nc3ccc(OC(C)C)nn3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-18-8-7-17(21-22-18)20-19(24)23-11-16(12-23)10-15-6-4-5-14(3)9-15/h4-9,13,16H,10-12H2,1-3H3,(H,20,21,24)
InChIKeyUGPLSOWWBWRVBP-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.28
Rot. Bonds5

About 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide

3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide (PubChem CID 154757231) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide
PubChem CID154757231
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide
SMILESCc1cccc(CC2CN(C(=O)Nc3ccc(OC(C)C)nn3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-18-8-7-17(21-22-18)20-19(24)23-11-16(12-23)10-15-6-4-5-14(3)9-15/h4-9,13,16H,10-12H2,1-3H3,(H,20,21,24)
InChIKeyUGPLSOWWBWRVBP-UHFFFAOYSA-N
XLogP3.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-N-(6-propan-2-yloxypyridazin-3-yl)piperazine-1-carboxamide
CID 136541606
N-(6-propan-2-yloxypyridazin-3-yl)propanamide
CID 119044052
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049498
1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122660230
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide
CID 136534630
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 122660232

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide?
The IUPAC name of 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide (CID 154757231) is 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide is Cc1cccc(CC2CN(C(=O)Nc3ccc(OC(C)C)nn3)C2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide?
The InChIKey is UGPLSOWWBWRVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)25-18-8-7-17(21-22-18)20-19(24)23-11-16(12-23)10-15-6-4-5-14(3)9-15/h4-9,13,16H,10-12H2,1-3H3,(H,20,21,24).
What are the key properties of 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide?
3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 154757231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).