3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide

C119H99ClF2N38O9S — CID 161150311

IUPAC3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide
SMILESCN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)C1.CN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)CC1.Cn1ccnc1C(=O)Nc1cnc(-c2ccccn2)cn1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cnco1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cncs1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)cc1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccccc1
InChIInChI=1S/C16H10ClFN4O.C16H11FN4O.C16H19N5O.C16H12N4O.C15H17N5O.C14H12N6O.C13H9N5O2.C13H9N5OS/c17-12-7-10(4-5-13(12)18)15(23)22-16-20-8-11(9-21-16)14-3-1-2-6-19-14;17-13-6-4-11(5-7-13)15(22)21-16-19-9-12(10-20-16)14-3-1-2-8-18-14;1-21-8-5-12(6-9-21)16(22)20-15-11-18-14(10-19-15)13-4-2-3-7-17-13;21-15(12-6-2-1-3-7-12)20-16-18-10-13(11-19-16)14-8-4-5-9-17-14;1-20-7-5-11(10-20)15(21)19-14-9-17-13(8-18-14)12-4-2-3-6-16-12;1-20-7-6-16-13(20)14(21)19-12-9-17-11(8-18-12)10-4-2-3-5-15-10;2*19-13(11-6-14-8-20-11)18-12-7-16-10(5-17-12)9-3-1-2-4-15-9/h1-9H,(H,20,21,22,23);1-10H,(H,19,20,21,22);2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,20,22);1-11H,(H,18,19,20,21);2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,19,21);2-9H,1H3,(H,18,19,21);2*1-8H,(H,17,18,19)
InChIKeyUOOZUUZKELUTNC-UHFFFAOYSA-N
MW2310.87 g/mol
LogP18.10
Rot. Bonds24

About 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide

3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide (PubChem CID 161150311) has the molecular formula C119H99ClF2N38O9S and a molecular weight of 2310.87 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide
PubChem CID161150311
Molecular FormulaC119H99ClF2N38O9S
Molecular Weight2310.87 g/mol
Exact Mass2308.78
IUPAC Name3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide
SMILESCN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)C1.CN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)CC1.Cn1ccnc1C(=O)Nc1cnc(-c2ccccn2)cn1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cnco1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cncs1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)cc1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccccc1
InChIInChI=1S/C16H10ClFN4O.C16H11FN4O.C16H19N5O.C16H12N4O.C15H17N5O.C14H12N6O.C13H9N5O2.C13H9N5OS/c17-12-7-10(4-5-13(12)18)15(23)22-16-20-8-11(9-21-16)14-3-1-2-6-19-14;17-13-6-4-11(5-7-13)15(22)21-16-19-9-12(10-20-16)14-3-1-2-8-18-14;1-21-8-5-12(6-9-21)16(22)20-15-11-18-14(10-19-15)13-4-2-3-7-17-13;21-15(12-6-2-1-3-7-12)20-16-18-10-13(11-19-16)14-8-4-5-9-17-14;1-20-7-5-11(10-20)15(21)19-14-9-17-13(8-18-14)12-4-2-3-6-16-12;1-20-7-6-16-13(20)14(21)19-12-9-17-11(8-18-12)10-4-2-3-5-15-10;2*19-13(11-6-14-8-20-11)18-12-7-16-10(5-17-12)9-3-1-2-4-15-9/h1-9H,(H,20,21,22,23);1-10H,(H,19,20,21,22);2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,20,22);1-11H,(H,18,19,20,21);2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,19,21);2-9H,1H3,(H,18,19,21);2*1-8H,(H,17,18,19)
InChIKeyUOOZUUZKELUTNC-UHFFFAOYSA-N
XLogP18.10
TPSA605.38 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002310.87
LogP ≤ 518.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide (CID 161150311) is 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide is CN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)C1.CN1CCC(C(=O)Nc2cnc(-c3ccccn3)cn2)CC1.Cn1ccnc1C(=O)Nc1cnc(-c2ccccn2)cn1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cnco1.O=C(Nc1cnc(-c2ccccn2)cn1)c1cncs1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(F)cc1.O=C(Nc1ncc(-c2ccccn2)cn1)c1ccccc1.
What is the InChIKey of 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide?
The InChIKey is UOOZUUZKELUTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O.C16H11FN4O.C16H19N5O.C16H12N4O.C15H17N5O.C14H12N6O.C13H9N5O2.C13H9N5OS/c17-12-7-10(4-5-13(12)18)15(23)22-16-20-8-11(9-21-16)14-3-1-2-6-19-14;17-13-6-4-11(5-7-13)15(22)21-16-19-9-12(10-20-16)14-3-1-2-8-18-14;1-21-8-5-12(6-9-21)16(22)20-15-11-18-14(10-19-15)13-4-2-3-7-17-13;21-15(12-6-2-1-3-7-12)20-16-18-10-13(11-19-16)14-8-4-5-9-17-14;1-20-7-5-11(10-20)15(21)19-14-9-17-13(8-18-14)12-4-2-3-6-16-12;1-20-7-6-16-13(20)14(21)19-12-9-17-11(8-18-12)10-4-2-3-5-15-10;2*19-13(11-6-14-8-20-11)18-12-7-16-10(5-17-12)9-3-1-2-4-15-9/h1-9H,(H,20,21,22,23);1-10H,(H,19,20,21,22);2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,20,22);1-11H,(H,18,19,20,21);2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,19,21);2-9H,1H3,(H,18,19,21);2*1-8H,(H,17,18,19).
What are the key properties of 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide?
3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide has a molecular weight of 2310.87 g/mol, XLogP of 18.10, 24 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 161150311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).