N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

C18H22N4O3 — CID 90639329

IUPACN-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)Nc3cc(C)cc(C)c3)C2)nn1
InChIInChI=1S/C18H22N4O3/c1-12-8-13(2)10-14(9-12)19-18(23)22-7-6-15(11-22)25-17-5-4-16(24-3)20-21-17/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,19,23)
InChIKeyDVMPZBZXVPGJDR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.79
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90639329) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
PubChem CID90639329
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)Nc3cc(C)cc(C)c3)C2)nn1
InChIInChI=1S/C18H22N4O3/c1-12-8-13(2)10-14(9-12)19-18(23)22-7-6-15(11-22)25-17-5-4-16(24-3)20-21-17/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,19,23)
InChIKeyDVMPZBZXVPGJDR-UHFFFAOYSA-N
XLogP2.79
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639320
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90639768
(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100633412
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676
N-(2-methoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638861
N-(4-ethoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638864
N-(3-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559675
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (CID 90639329) is N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is COc1ccc(OC2CCN(C(=O)Nc3cc(C)cc(C)c3)C2)nn1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is DVMPZBZXVPGJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-8-13(2)10-14(9-12)19-18(23)22-7-6-15(11-22)25-17-5-4-16(24-3)20-21-17/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,19,23).
What are the key properties of N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90639329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).