N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide

C119H110F3N13O13 — CID 157340046

IUPACN-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCOC(C)(C)C1.Cc1cc(F)cc(NC(=O)c2ccc(COc3ccccc3)nc2)c1.Cc1ccc(NC(=O)c2ccc(COc3ccccc3)nc2)cc1.Cc1ccc(NC(=O)c2ccc(COc3ccccc3)nc2)nc1.O=C(Nc1cccc(F)c1)c1ccc(COc2ccccc2)nc1.O=C(Nc1ccccc1)c1ccc(COc2ccccc2)nc1
InChIInChI=1S/C22H27FN2O3.C20H17FN2O2.C20H18N2O2.C19H15FN2O2.C19H17N3O2.C19H16N2O2/c1-15(16-9-10-28-22(2,3)12-16)25-21(26)17-7-8-19(24-13-17)14-27-20-6-4-5-18(23)11-20;1-14-9-16(21)11-18(10-14)23-20(24)15-7-8-17(22-12-15)13-25-19-5-3-2-4-6-19;1-15-7-10-17(11-8-15)22-20(23)16-9-12-18(21-13-16)14-24-19-5-3-2-4-6-19;20-15-5-4-6-16(11-15)22-19(23)14-9-10-17(21-12-14)13-24-18-7-2-1-3-8-18;1-14-7-10-18(21-11-14)22-19(23)15-8-9-16(20-12-15)13-24-17-5-3-2-4-6-17;22-19(21-16-7-3-1-4-8-16)15-11-12-17(20-13-15)14-23-18-9-5-2-6-10-18/h4-8,11,13,15-16H,9-10,12,14H2,1-3H3,(H,25,26);2-12H,13H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,22,23);1-12H,13H2,(H,22,23);2-12H,13H2,1H3,(H,21,22,23);1-13H,14H2,(H,21,22)/t15-,16?;;;;;/m1...../s1
InChIKeyBGHGJEANNCWVBT-DYJJLFLISA-N
MW1987.26 g/mol
LogP24.29
Rot. Bonds31

About N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide

N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide (PubChem CID 157340046) has the molecular formula C119H110F3N13O13 and a molecular weight of 1987.26 g/mol. Its IUPAC name is N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide
PubChem CID157340046
Molecular FormulaC119H110F3N13O13
Molecular Weight1987.26 g/mol
Exact Mass1985.83
IUPAC NameN-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCOC(C)(C)C1.Cc1cc(F)cc(NC(=O)c2ccc(COc3ccccc3)nc2)c1.Cc1ccc(NC(=O)c2ccc(COc3ccccc3)nc2)cc1.Cc1ccc(NC(=O)c2ccc(COc3ccccc3)nc2)nc1.O=C(Nc1cccc(F)c1)c1ccc(COc2ccccc2)nc1.O=C(Nc1ccccc1)c1ccc(COc2ccccc2)nc1
InChIInChI=1S/C22H27FN2O3.C20H17FN2O2.C20H18N2O2.C19H15FN2O2.C19H17N3O2.C19H16N2O2/c1-15(16-9-10-28-22(2,3)12-16)25-21(26)17-7-8-19(24-13-17)14-27-20-6-4-5-18(23)11-20;1-14-9-16(21)11-18(10-14)23-20(24)15-7-8-17(22-12-15)13-25-19-5-3-2-4-6-19;1-15-7-10-17(11-8-15)22-20(23)16-9-12-18(21-13-16)14-24-19-5-3-2-4-6-19;20-15-5-4-6-16(11-15)22-19(23)14-9-10-17(21-12-14)13-24-18-7-2-1-3-8-18;1-14-7-10-18(21-11-14)22-19(23)15-8-9-16(20-12-15)13-24-17-5-3-2-4-6-17;22-19(21-16-7-3-1-4-8-16)15-11-12-17(20-13-15)14-23-18-9-5-2-6-10-18/h4-8,11,13,15-16H,9-10,12,14H2,1-3H3,(H,25,26);2-12H,13H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,22,23);1-12H,13H2,(H,22,23);2-12H,13H2,1H3,(H,21,22,23);1-13H,14H2,(H,21,22)/t15-,16?;;;;;/m1...../s1
InChIKeyBGHGJEANNCWVBT-DYJJLFLISA-N
XLogP24.29
TPSA329.44 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001987.26
LogP ≤ 524.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

US20230339891, Example 92
CID 169490149
US20230339891, Example 93
CID 169490150
US20230339891, Example 94
CID 169490151
N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 24964993
N-[4-[2-(4-fluoroanilino)-6-[[3-(2-fluoropyridine-3-carbonyl)phenoxy]methyl]-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
CID 58263731
6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 69457986
6-(6-methoxy-2-pyridinyl)-8-[4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;5-[1-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-2-carbonitrile
CID 87191984
6-(3,3-difluoropiperidin-1-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one;ethyl 3-[4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidin-1-yl]propanoate
CID 87192076
N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 87192323
N-(4-tert-butylphenyl)-2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]pyridine-3-carboxamide;2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87853473
CID 88074296
CID 88074296
[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 90805125

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide (CID 157340046) is N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCOC(C)(C)C1.Cc1cc(F)cc(NC(=O)c2ccc(COc3ccccc3)nc2)c1.Cc1ccc(NC(=O)c2ccc(COc3ccccc3)nc2)cc1.Cc1ccc(NC(=O)c2ccc(COc3ccccc3)nc2)nc1.O=C(Nc1cccc(F)c1)c1ccc(COc2ccccc2)nc1.O=C(Nc1ccccc1)c1ccc(COc2ccccc2)nc1.
What is the InChIKey of N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide?
The InChIKey is BGHGJEANNCWVBT-DYJJLFLISA-N. The full InChI is InChI=1S/C22H27FN2O3.C20H17FN2O2.C20H18N2O2.C19H15FN2O2.C19H17N3O2.C19H16N2O2/c1-15(16-9-10-28-22(2,3)12-16)25-21(26)17-7-8-19(24-13-17)14-27-20-6-4-5-18(23)11-20;1-14-9-16(21)11-18(10-14)23-20(24)15-7-8-17(22-12-15)13-25-19-5-3-2-4-6-19;1-15-7-10-17(11-8-15)22-20(23)16-9-12-18(21-13-16)14-24-19-5-3-2-4-6-19;20-15-5-4-6-16(11-15)22-19(23)14-9-10-17(21-12-14)13-24-18-7-2-1-3-8-18;1-14-7-10-18(21-11-14)22-19(23)15-8-9-16(20-12-15)13-24-17-5-3-2-4-6-17;22-19(21-16-7-3-1-4-8-16)15-11-12-17(20-13-15)14-23-18-9-5-2-6-10-18/h4-8,11,13,15-16H,9-10,12,14H2,1-3H3,(H,25,26);2-12H,13H2,1H3,(H,23,24);2-13H,14H2,1H3,(H,22,23);1-12H,13H2,(H,22,23);2-12H,13H2,1H3,(H,21,22,23);1-13H,14H2,(H,21,22)/t15-,16?;;;;;/m1...../s1.
What are the key properties of N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide?
N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide has a molecular weight of 1987.26 g/mol, XLogP of 24.29, 31 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(3-fluoro-5-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 157340046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).