N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

C91H69Cl4N17O10 — CID 123329765

About N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (PubChem CID 123329765) has the molecular formula C91H69Cl4N17O10 and a molecular weight of 1702.47 g/mol. Its IUPAC name is N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

• Compound Name: N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
• PubChem CID: 123329765
• Molecular Formula: C91H69Cl4N17O10
• Molecular Weight: 1702.47 g/mol
• Exact Mass: 1699.42
• IUPAC Name: N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
• SMILES: CC1=CC(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)CC=C1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.N#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1
• InChI: InChI=1S/C19H14N4O2.C18H11ClN4O2.C18H14ClN3O2.C18H16ClN3O2.C18H14ClN3O2/c1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;19-14-5-15(7-16(6-14)25-17-9-21-11-22-10-17)23-18(24)13-3-1-2-12(4-13)8-20;1-12-4-2-6-17(21-12)18(23)22-14-8-13(19)9-16(10-14)24-15-5-3-7-20-11-15;2*1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17/h2-8,10-12H,1H3,(H,23,24);1-7,9-11H,(H,23,24);2-11H,1H3,(H,22,23);2-3,5-11,13H,4H2,1H3,(H,22,23);2-11H,1H3,(H,22,23)
• InChIKey: MCBKPWAVYIDICK-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 368.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1702.47
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

The IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (CID 123329765) is N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

What is the SMILES notation for N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

The canonical SMILES for N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is CC1=CC(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)CC=C1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.N#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.

What is the InChIKey of N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

The InChIKey is MCBKPWAVYIDICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2.C18H11ClN4O2.C18H14ClN3O2.C18H16ClN3O2.C18H14ClN3O2/c1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;19-14-5-15(7-16(6-14)25-17-9-21-11-22-10-17)23-18(24)13-3-1-2-12(4-13)8-20;1-12-4-2-6-17(21-12)18(23)22-14-8-13(19)9-16(10-14)24-15-5-3-7-20-11-15;2*1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17/h2-8,10-12H,1H3,(H,23,24);1-7,9-11H,(H,23,24);2-11H,1H3,(H,22,23);2-3,5-11,13H,4H2,1H3,(H,22,23);2-11H,1H3,(H,22,23).

What are the key properties of N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide has a molecular weight of 1702.47 g/mol, XLogP of 21.10, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-cyanobenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylcyclohexa-2,4-diene-1-carboxamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 123329765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).