4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide

C50H35Cl2F2N9O6S — CID 123565915

About 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide

4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 123565915) has the molecular formula C50H35Cl2F2N9O6S and a molecular weight of 998.86 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide
• PubChem CID: 123565915
• Molecular Formula: C50H35Cl2F2N9O6S
• Molecular Weight: 998.86 g/mol
• Exact Mass: 997.18
• IUPAC Name: 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1nccs1
• InChI: InChI=1S/C19H15ClN2O2.C16H9ClF2N4O2.C15H11N3O2S/c1-13-4-2-5-14(8-13)19(23)22-16-6-3-7-17(10-16)24-18-9-15(20)11-21-12-18;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11;19-14(15-17-7-8-21-15)18-11-3-1-4-12(9-11)20-13-5-2-6-16-10-13/h2-12H,1H3,(H,22,23);1-8H,(H,23,24);1-10H,(H,18,19)
• InChIKey: YUVBOJDGRDFABA-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 192.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	998.86
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide (CID 123565915) is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide is Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1nccs1.

What is the InChIKey of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

The InChIKey is YUVBOJDGRDFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2.C16H9ClF2N4O2.C15H11N3O2S/c1-13-4-2-5-14(8-13)19(23)22-16-6-3-7-17(10-16)24-18-9-15(20)11-21-12-18;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11;19-14(15-17-7-8-21-15)18-11-3-1-4-12(9-11)20-13-5-2-6-16-10-13/h2-12H,1H3,(H,22,23);1-8H,(H,23,24);1-10H,(H,18,19).

What are the key properties of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 998.86 g/mol, XLogP of 12.52, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123565915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).