2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide

C18H20FN3O2 — CID 91197833

IUPAC2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cccnc1F
InChIInChI=1S/C18H20FN3O2/c19-17-15(7-4-8-20-17)18(23)21-13-16(14-5-2-1-3-6-14)22-9-11-24-12-10-22/h1-8,16H,9-13H2,(H,21,23)
InChIKeyMJQZLMVDTSNYAH-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.02
Rot. Bonds5

About 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide

2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide (PubChem CID 91197833) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
PubChem CID91197833
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cccnc1F
InChIInChI=1S/C18H20FN3O2/c19-17-15(7-4-8-20-17)18(23)21-13-16(14-5-2-1-3-6-14)22-9-11-24-12-10-22/h1-8,16H,9-13H2,(H,21,23)
InChIKeyMJQZLMVDTSNYAH-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenoxymethyl)benzamide
CID 55331648
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-fluorobenzamide
CID 7285686
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
2,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647353
2,3-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647352
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-fluorobenzamide;hydrochloride
CID 52985976

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide (CID 91197833) is 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is MJQZLMVDTSNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-17-15(7-4-8-20-17)18(23)21-13-16(14-5-2-1-3-6-14)22-9-11-24-12-10-22/h1-8,16H,9-13H2,(H,21,23).
What are the key properties of 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide?
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91197833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).