N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

C19H22FN3O2S — CID 46482531

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1F)c1cccnc1N1CCOCC1
InChIInChI=1S/C19H22FN3O2S/c20-17-6-2-1-4-15(17)14-26-13-8-22-19(24)16-5-3-7-21-18(16)23-9-11-25-12-10-23/h1-7H,8-14H2,(H,22,24)
InChIKeyBQHXJNDTIVXOSH-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.72
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 46482531) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID46482531
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1F)c1cccnc1N1CCOCC1
InChIInChI=1S/C19H22FN3O2S/c20-17-6-2-1-4-15(17)14-26-13-8-22-19(24)16-5-3-7-21-18(16)23-9-11-25-12-10-23/h1-7H,8-14H2,(H,22,24)
InChIKeyBQHXJNDTIVXOSH-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119496984
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
N-(2,3-difluorophenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 154780005
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
CID 51251100
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 94170870
N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 26126330
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 17396497

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 46482531) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is O=C(NCCSCc1ccccc1F)c1cccnc1N1CCOCC1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is BQHXJNDTIVXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c20-17-6-2-1-4-15(17)14-26-13-8-22-19(24)16-5-3-7-21-18(16)23-9-11-25-12-10-23/h1-7H,8-14H2,(H,22,24).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 46482531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).