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

C22H28FN3O2 — CID 67287726

IUPAC2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCC(C)c1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H28FN3O2/c1-4-15(2)21-20(22(27)24-14-17-6-5-7-18(23)13-17)16(3)12-19(25-21)26-8-10-28-11-9-26/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,24,27)
InChIKeyALAZDLNJMPJATH-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.81
Rot. Bonds6

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

2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67287726) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67287726
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCC(C)c1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H28FN3O2/c1-4-15(2)21-20(22(27)24-14-17-6-5-7-18(23)13-17)16(3)12-19(25-21)26-8-10-28-11-9-26/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,24,27)
InChIKeyALAZDLNJMPJATH-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 67287726) is 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CCC(C)c1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is ALAZDLNJMPJATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-4-15(2)21-20(22(27)24-14-17-6-5-7-18(23)13-17)16(3)12-19(25-21)26-8-10-28-11-9-26/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,24,27).
What are the key properties of 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67287726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).