N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

C18H22N4O4 — CID 90639320

IUPACN-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(Oc3ccc(OC)nn3)C2)cc1
InChIInChI=1S/C18H22N4O4/c1-3-25-14-6-4-13(5-7-14)19-18(23)22-11-10-15(12-22)26-17-9-8-16(24-2)20-21-17/h4-9,15H,3,10-12H2,1-2H3,(H,19,23)
InChIKeyFLSWPMJRPVTEBQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.57
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90639320) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
PubChem CID90639320
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(Oc3ccc(OC)nn3)C2)cc1
InChIInChI=1S/C18H22N4O4/c1-3-25-14-6-4-13(5-7-14)19-18(23)22-11-10-15(12-22)26-17-9-8-16(24-2)20-21-17/h4-9,15H,3,10-12H2,1-2H3,(H,19,23)
InChIKeyFLSWPMJRPVTEBQ-UHFFFAOYSA-N
XLogP2.57
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638864
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639329
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
3-[(5-cyano-2-pyridinyl)oxy]-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 122248888
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
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (CID 90639320) is N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(Oc3ccc(OC)nn3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is FLSWPMJRPVTEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-25-14-6-4-13(5-7-14)19-18(23)22-11-10-15(12-22)26-17-9-8-16(24-2)20-21-17/h4-9,15H,3,10-12H2,1-2H3,(H,19,23).
What are the key properties of N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90639320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).