N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide

C17H18FN3O3 — CID 119847828

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)C1COCCN1
InChIInChI=1S/C17H18FN3O3/c18-13-4-1-5-14(9-13)24-17-12(3-2-6-20-17)10-21-16(22)15-11-23-8-7-19-15/h1-6,9,15,19H,7-8,10-11H2,(H,21,22)
InChIKeyAXFWOETZFRRFKV-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.62
Rot. Bonds5

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide (PubChem CID 119847828) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
PubChem CID119847828
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)C1COCCN1
InChIInChI=1S/C17H18FN3O3/c18-13-4-1-5-14(9-13)24-17-12(3-2-6-20-17)10-21-16(22)15-11-23-8-7-19-15/h1-6,9,15,19H,7-8,10-11H2,(H,21,22)
InChIKeyAXFWOETZFRRFKV-UHFFFAOYSA-N
XLogP1.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
(2S,5R)-5-(aminomethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798007
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 47051100
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46454616
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
(E)-4-(dimethylamino)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]but-2-enamide
CID 146100901
(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 51943870

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide (CID 119847828) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide is O=C(NCc1cccnc1Oc1cccc(F)c1)C1COCCN1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The InChIKey is AXFWOETZFRRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-4-1-5-14(9-13)24-17-12(3-2-6-20-17)10-21-16(22)15-11-23-8-7-19-15/h1-6,9,15,19H,7-8,10-11H2,(H,21,22).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119847828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).