4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

C18H23Cl2N3O4 — CID 119848523

IUPAC4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)C2CC(O)CN2)cc1OCc1ccncc1.Cl.Cl
InChIInChI=1S/C18H21N3O4.2ClH/c1-24-16-3-2-13(21-18(23)15-9-14(22)10-20-15)8-17(16)25-11-12-4-6-19-7-5-12;;/h2-8,14-15,20,22H,9-11H2,1H3,(H,21,23);2*1H
InChIKeyRMZKTIIZUSBGJO-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.17
Rot. Bonds6

About 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119848523) has the molecular formula C18H23Cl2N3O4 and a molecular weight of 416.31 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119848523
Molecular FormulaC18H23Cl2N3O4
Molecular Weight416.31 g/mol
Exact Mass415.11
IUPAC Name4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)C2CC(O)CN2)cc1OCc1ccncc1.Cl.Cl
InChIInChI=1S/C18H21N3O4.2ClH/c1-24-16-3-2-13(21-18(23)15-9-14(22)10-20-15)8-17(16)25-11-12-4-6-19-7-5-12;;/h2-8,14-15,20,22H,9-11H2,1H3,(H,21,23);2*1H
InChIKeyRMZKTIIZUSBGJO-UHFFFAOYSA-N
XLogP2.17
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 119848502
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 33126209
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55642482
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119848523) is 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is COc1ccc(NC(=O)C2CC(O)CN2)cc1OCc1ccncc1.Cl.Cl.
What is the InChIKey of 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is RMZKTIIZUSBGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4.2ClH/c1-24-16-3-2-13(21-18(23)15-9-14(22)10-20-15)8-17(16)25-11-12-4-6-19-7-5-12;;/h2-8,14-15,20,22H,9-11H2,1H3,(H,21,23);2*1H.
What are the key properties of 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 416.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119848523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).