N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C17H18FN3O3 — CID 119870347

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C1CC(O)CN1
InChIInChI=1S/C17H18FN3O3/c18-12-2-1-3-14(6-12)24-16-5-4-11(8-20-16)9-21-17(23)15-7-13(22)10-19-15/h1-6,8,13,15,19,22H,7,9-10H2,(H,21,23)
InChIKeyPEJFHMWCTFKEBD-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.35
Rot. Bonds5

About N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119870347) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119870347
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C1CC(O)CN1
InChIInChI=1S/C17H18FN3O3/c18-12-2-1-3-14(6-12)24-16-5-4-11(8-20-16)9-21-17(23)15-7-13(22)10-19-15/h1-6,8,13,15,19,22H,7,9-10H2,(H,21,23)
InChIKeyPEJFHMWCTFKEBD-UHFFFAOYSA-N
XLogP1.35
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872262
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119870344
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119870347) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C1CC(O)CN1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is PEJFHMWCTFKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-2-1-3-14(6-12)24-16-5-4-11(8-20-16)9-21-17(23)15-7-13(22)10-19-15/h1-6,8,13,15,19,22H,7,9-10H2,(H,21,23).
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119870347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).