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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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25097027
2-(3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123380
2-(2,6-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123382
2-(2,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123708

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).