4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide

C19H20FN3O3 — CID 110090396

IUPAC4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)c2ccc(Cc3ccccc3F)nc2)CCO1
InChIInChI=1S/C19H20FN3O3/c1-19(18(21)25)12-23(8-9-26-19)17(24)14-6-7-15(22-11-14)10-13-4-2-3-5-16(13)20/h2-7,11H,8-10,12H2,1H3,(H2,21,25)
InChIKeyFITQPMLYZZKRDA-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.53
Rot. Bonds4

About 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide

4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide (PubChem CID 110090396) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
PubChem CID110090396
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)c2ccc(Cc3ccccc3F)nc2)CCO1
InChIInChI=1S/C19H20FN3O3/c1-19(18(21)25)12-23(8-9-26-19)17(24)14-6-7-15(22-11-14)10-13-4-2-3-5-16(13)20/h2-7,11H,8-10,12H2,1H3,(H2,21,25)
InChIKeyFITQPMLYZZKRDA-UHFFFAOYSA-N
XLogP1.53
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 125021701
(2R)-4-[1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 125002939
(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-methylmorpholine-2-carboxamide
CID 95839579
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
[6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
CID 125015399
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
1-[(4aR,8aS)-5-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110140487
(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide
CID 95838198
(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
CID 95839705
(2R)-4-(7-fluoro-1H-indole-2-carbonyl)-2-methylmorpholine-2-carboxamide
CID 124990260
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110106963

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide (CID 110090396) is 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide is CC1(C(N)=O)CN(C(=O)c2ccc(Cc3ccccc3F)nc2)CCO1.
What is the InChIKey of 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is FITQPMLYZZKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-19(18(21)25)12-23(8-9-26-19)17(24)14-6-7-15(22-11-14)10-13-4-2-3-5-16(13)20/h2-7,11H,8-10,12H2,1H3,(H2,21,25).
What are the key properties of 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 110090396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).