N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C17H20Cl2FN3O3 — CID 119898286

IUPACN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(OCc2ccccn2)c(F)c1)C1CC(O)CN1
InChIInChI=1S/C17H18FN3O3.2ClH/c18-14-7-11(21-17(23)15-8-13(22)9-20-15)4-5-16(14)24-10-12-3-1-2-6-19-12;;/h1-7,13,15,20,22H,8-10H2,(H,21,23);2*1H
InChIKeyDOPLYYXIZKXVBQ-UHFFFAOYSA-N
MW404.27 g/mol
LogP2.30
Rot. Bonds5

About N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119898286) has the molecular formula C17H20Cl2FN3O3 and a molecular weight of 404.27 g/mol. Its IUPAC name is N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119898286
Molecular FormulaC17H20Cl2FN3O3
Molecular Weight404.27 g/mol
Exact Mass403.09
IUPAC NameN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(OCc2ccccn2)c(F)c1)C1CC(O)CN1
InChIInChI=1S/C17H18FN3O3.2ClH/c18-14-7-11(21-17(23)15-8-13(22)9-20-15)4-5-16(14)24-10-12-3-1-2-6-19-12;;/h1-7,13,15,20,22H,8-10H2,(H,21,23);2*1H
InChIKeyDOPLYYXIZKXVBQ-UHFFFAOYSA-N
XLogP2.30
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119848523
N-[3-fluoro-4-[2-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119754433
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119898286) is N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(OCc2ccccn2)c(F)c1)C1CC(O)CN1.
What is the InChIKey of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is DOPLYYXIZKXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3.2ClH/c18-14-7-11(21-17(23)15-8-13(22)9-20-15)4-5-16(14)24-10-12-3-1-2-6-19-12;;/h1-7,13,15,20,22H,8-10H2,(H,21,23);2*1H.
What are the key properties of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 404.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119898286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).