2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C22H28FN3O3 — CID 67286796

IUPAC2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCCCOc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H28FN3O3/c1-3-4-10-29-22-20(21(27)24-15-17-6-5-7-18(23)14-17)16(2)13-19(25-22)26-8-11-28-12-9-26/h5-7,13-14H,3-4,8-12,15H2,1-2H3,(H,24,27)
InChIKeyUPCJNRTTXBYUJZ-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.47
Rot. Bonds8

About 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67286796) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67286796
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCCCOc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H28FN3O3/c1-3-4-10-29-22-20(21(27)24-15-17-6-5-7-18(23)14-17)16(2)13-19(25-22)26-8-11-28-12-9-26/h5-7,13-14H,3-4,8-12,15H2,1-2H3,(H,24,27)
InChIKeyUPCJNRTTXBYUJZ-UHFFFAOYSA-N
XLogP3.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.47
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-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286889
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
CID 67287567
N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide
CID 67287131
N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
CID 67286979
N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67288271
2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67287002
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(4-methoxypiperidin-1-yl)-4-methylpyridine-3-carboxamide
CID 67287264
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxomorpholin-4-yl)pyridine-3-carboxamide
CID 67287229
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-[(3S)-3-(hydroxymethyl)morpholin-4-yl]-4-methylpyridine-3-carboxamide
CID 56962525
2-ethylsulfanyl-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286799
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 56963428
2-ethylsulfanyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67289352

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 67286796) is 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CCCCOc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is UPCJNRTTXBYUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-3-4-10-29-22-20(21(27)24-15-17-6-5-7-18(23)14-17)16(2)13-19(25-22)26-8-11-28-12-9-26/h5-7,13-14H,3-4,8-12,15H2,1-2H3,(H,24,27).
What are the key properties of 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 401.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67286796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).