N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide

C17H19ClN4O4 — CID 90637156

IUPACN-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC(Oc2nccnc2OC)C1
InChIInChI=1S/C17H19ClN4O4/c1-24-14-4-3-11(18)9-13(14)21-17(23)22-8-5-12(10-22)26-16-15(25-2)19-6-7-20-16/h3-4,6-7,9,12H,5,8,10H2,1-2H3,(H,21,23)
InChIKeyHPDHINLWAMZJMJ-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.83
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90637156) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
PubChem CID90637156
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC(Oc2nccnc2OC)C1
InChIInChI=1S/C17H19ClN4O4/c1-24-14-4-3-11(18)9-13(14)21-17(23)22-8-5-12(10-22)26-16-15(25-2)19-6-7-20-16/h3-4,6-7,9,12H,5,8,10H2,1-2H3,(H,21,23)
InChIKeyHPDHINLWAMZJMJ-UHFFFAOYSA-N
XLogP2.83
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258102
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
(2-chloro-4-fluorophenyl)-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756942

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (CID 90637156) is N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC(Oc2nccnc2OC)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is HPDHINLWAMZJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c1-24-14-4-3-11(18)9-13(14)21-17(23)22-8-5-12(10-22)26-16-15(25-2)19-6-7-20-16/h3-4,6-7,9,12H,5,8,10H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90637156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).