N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide

C105H94F13N27O5 — CID 161298472

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(C(F)(F)c2ccccn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ccc(F)cn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ccccn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2cnc(C(F)(F)F)nc2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ncc(C(F)F)cn2)C1
InChIInChI=1S/C21H18F4N6O.C21H19F3N6O.C21H18F3N5O.C21H19F2N5O.C21H20FN5O/c22-15-3-1-14(2-4-15)17-6-5-16(26)18(29-17)30-20(32)31-10-13(11-31)7-12-8-27-19(28-9-12)21(23,24)25;22-15-3-1-13(2-4-15)17-6-5-16(25)20(28-17)29-21(31)30-10-12(11-30)7-18-26-8-14(9-27-18)19(23)24;22-15-6-4-13(5-7-15)17-9-8-16(25)19(27-17)28-20(30)29-11-14(12-29)21(23,24)18-3-1-2-10-26-18;22-15-3-1-14(2-4-15)19-8-7-18(24)20(26-19)27-21(29)28-11-13(12-28)9-17-6-5-16(23)10-25-17;22-16-6-4-15(5-7-16)19-9-8-18(23)20(25-19)26-21(28)27-12-14(13-27)11-17-3-1-2-10-24-17/h1-6,8-9,13H,7,10-11,26H2,(H,29,30,32);1-6,8-9,12,19H,7,10-11,25H2,(H,28,29,31);1-10,14H,11-12,25H2,(H,27,28,30);1-8,10,13H,9,11-12,24H2,(H,26,27,29);1-10,14H,11-13,23H2,(H,25,26,28)
InChIKeyVHHBTIJKIDJTJA-UHFFFAOYSA-N
MW2061.06 g/mol
LogP19.29
Rot. Bonds21

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide (PubChem CID 161298472) has the molecular formula C105H94F13N27O5 and a molecular weight of 2061.06 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide
PubChem CID161298472
Molecular FormulaC105H94F13N27O5
Molecular Weight2061.06 g/mol
Exact Mass2059.77
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(C(F)(F)c2ccccn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ccc(F)cn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ccccn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2cnc(C(F)(F)F)nc2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ncc(C(F)F)cn2)C1
InChIInChI=1S/C21H18F4N6O.C21H19F3N6O.C21H18F3N5O.C21H19F2N5O.C21H20FN5O/c22-15-3-1-14(2-4-15)17-6-5-16(26)18(29-17)30-20(32)31-10-13(11-31)7-12-8-27-19(28-9-12)21(23,24)25;22-15-3-1-13(2-4-15)17-6-5-16(25)20(28-17)29-21(31)30-10-12(11-30)7-18-26-8-14(9-27-18)19(23)24;22-15-6-4-13(5-7-15)17-9-8-16(25)19(27-17)28-20(30)29-11-14(12-29)21(23,24)18-3-1-2-10-26-18;22-15-3-1-14(2-4-15)19-8-7-18(24)20(26-19)27-21(29)28-11-13(12-28)9-17-6-5-16(23)10-25-17;22-16-6-4-15(5-7-16)19-9-8-18(23)20(25-19)26-21(28)27-12-14(13-27)11-17-3-1-2-10-24-17/h1-6,8-9,13H,7,10-11,26H2,(H,29,30,32);1-6,8-9,12,19H,7,10-11,25H2,(H,28,29,31);1-10,14H,11-12,25H2,(H,27,28,30);1-8,10,13H,9,11-12,24H2,(H,26,27,29);1-10,14H,11-13,23H2,(H,25,26,28)
InChIKeyVHHBTIJKIDJTJA-UHFFFAOYSA-N
XLogP19.29
TPSA446.48 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002061.06
LogP ≤ 519.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide (CID 161298472) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide is Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(C(F)(F)c2ccccn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ccc(F)cn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ccccn2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2cnc(C(F)(F)F)nc2)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cc2ncc(C(F)F)cn2)C1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide?
The InChIKey is VHHBTIJKIDJTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O.C21H19F3N6O.C21H18F3N5O.C21H19F2N5O.C21H20FN5O/c22-15-3-1-14(2-4-15)17-6-5-16(26)18(29-17)30-20(32)31-10-13(11-31)7-12-8-27-19(28-9-12)21(23,24)25;22-15-3-1-13(2-4-15)17-6-5-16(25)20(28-17)29-21(31)30-10-12(11-30)7-18-26-8-14(9-27-18)19(23)24;22-15-6-4-13(5-7-15)17-9-8-16(25)19(27-17)28-20(30)29-11-14(12-29)21(23,24)18-3-1-2-10-26-18;22-15-3-1-14(2-4-15)19-8-7-18(24)20(26-19)27-21(29)28-11-13(12-28)9-17-6-5-16(23)10-25-17;22-16-6-4-15(5-7-16)19-9-8-18(23)20(25-19)26-21(28)27-12-14(13-27)11-17-3-1-2-10-24-17/h1-6,8-9,13H,7,10-11,26H2,(H,29,30,32);1-6,8-9,12,19H,7,10-11,25H2,(H,28,29,31);1-10,14H,11-12,25H2,(H,27,28,30);1-8,10,13H,9,11-12,24H2,(H,26,27,29);1-10,14H,11-13,23H2,(H,25,26,28).
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide has a molecular weight of 2061.06 g/mol, XLogP of 19.29, 21 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(difluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[difluoro(pyridin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-fluoro-2-pyridinyl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyridin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 161298472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).