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

C17H18FN3O2 — CID 119870373

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C1CCNC1
InChIInChI=1S/C17H18FN3O2/c18-14-2-1-3-15(8-14)23-16-5-4-12(9-20-16)10-21-17(22)13-6-7-19-11-13/h1-5,8-9,13,19H,6-7,10-11H2,(H,21,22)
InChIKeyYZUPEGMFLABBCM-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.24
Rot. Bonds5

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

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119870373) 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-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119870373
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C1CCNC1
InChIInChI=1S/C17H18FN3O2/c18-14-2-1-3-15(8-14)23-16-5-4-12(9-20-16)10-21-17(22)13-6-7-19-11-13/h1-5,8-9,13,19H,6-7,10-11H2,(H,21,22)
InChIKeyYZUPEGMFLABBCM-UHFFFAOYSA-N
XLogP2.24
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119870347
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
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-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799429
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
(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

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 119870373) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C1CCNC1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is YZUPEGMFLABBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-2-1-3-15(8-14)23-16-5-4-12(9-20-16)10-21-17(22)13-6-7-19-11-13/h1-5,8-9,13,19H,6-7,10-11H2,(H,21,22).
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119870373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).