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

C21H26FN3O2 — CID 67286956

IUPACN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide
SMILESCCCc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H26FN3O2/c1-3-5-18-20(21(26)23-14-16-6-4-7-17(22)13-16)15(2)12-19(24-18)25-8-10-27-11-9-25/h4,6-7,12-13H,3,5,8-11,14H2,1-2H3,(H,23,26)
InChIKeyZWMVQBHKFYTOAR-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.25
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide (PubChem CID 67286956) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide
PubChem CID67286956
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide
SMILESCCCc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H26FN3O2/c1-3-5-18-20(21(26)23-14-16-6-4-7-17(22)13-16)15(2)12-19(24-18)25-8-10-27-11-9-25/h4,6-7,12-13H,3,5,8-11,14H2,1-2H3,(H,23,26)
InChIKeyZWMVQBHKFYTOAR-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide (CID 67286956) is N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide is CCCc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
The InChIKey is ZWMVQBHKFYTOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-3-5-18-20(21(26)23-14-16-6-4-7-17(22)13-16)15(2)12-19(24-18)25-8-10-27-11-9-25/h4,6-7,12-13H,3,5,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propylpyridine-3-carboxamide is sourced from PubChem (CID 67286956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).