N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide

C17H18FN3O2 — CID 60610905

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CCCC1
InChIInChI=1S/C17H18FN3O2/c18-14-4-3-5-15(10-14)23-16-7-6-13(11-19-16)12-20-17(22)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,22)
InChIKeyAVVSOZKKINYCTI-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.32
Rot. Bonds4

About N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 60610905) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
PubChem CID60610905
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CCCC1
InChIInChI=1S/C17H18FN3O2/c18-14-4-3-5-15(10-14)23-16-7-6-13(11-19-16)12-20-17(22)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,22)
InChIKeyAVVSOZKKINYCTI-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505727
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
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
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide
CID 56505728
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119870344
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119870347
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875939

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide (CID 60610905) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CCCC1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is AVVSOZKKINYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-4-3-5-15(10-14)23-16-7-6-13(11-19-16)12-20-17(22)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,22).
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60610905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).