N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide

C113H100ClN25O8 — CID 158406793

About N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide

N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 158406793) has the molecular formula C113H100ClN25O8 and a molecular weight of 1971.66 g/mol. Its IUPAC name is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide
• PubChem CID: 158406793
• Molecular Formula: C113H100ClN25O8
• Molecular Weight: 1971.66 g/mol
• Exact Mass: 1969.79
• IUPAC Name: N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide
• SMILES: C.C#Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cncc(N(CC)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cccnc3)ccn2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)n2)n1.Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1
• InChI: InChI=1S/C20H17N5O.C20H16N4O.C19H18N4O.C18H16ClN5O.C18H15N3O2.C17H14N4O2.CH4/c1-3-15-6-5-7-16(8-15)20(26)24-17-9-18(11-21-10-17)25(4-2)19-12-22-14-23-13-19;1-3-15-6-4-7-16(10-15)20(25)23-17-11-19(14-22-12-17)24(2)18-8-5-9-21-13-18;1-14-5-3-6-15(11-14)19(24)22-18-12-16(8-10-21-18)23(2)17-7-4-9-20-13-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-2-5-14(10-13)18(22)21-15-7-9-20-17(11-15)23-16-6-3-8-19-12-16;1-12-5-2-7-14(19-12)17(22)21-15-8-3-9-16(20-15)23-13-6-4-10-18-11-13;/h1,5-14H,4H2,2H3,(H,24,26);1,4-14H,2H3,(H,23,25);3-13H,1-2H3,(H,21,22,24);3-11H,1-2H3,(H,22,23,25);2-12H,1H3,(H,20,21,22);2-11H,1H3,(H,20,21,22);1H4
• InChIKey: GYUMRYSVNKBXPM-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 399.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1971.66
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide?

The IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide (CID 158406793) is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide?

The canonical SMILES for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide is C.C#Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cncc(N(CC)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cccnc3)ccn2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)n2)n1.Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1.

What is the InChIKey of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide?

The InChIKey is GYUMRYSVNKBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.C20H16N4O.C19H18N4O.C18H16ClN5O.C18H15N3O2.C17H14N4O2.CH4/c1-3-15-6-5-7-16(8-15)20(26)24-17-9-18(11-21-10-17)25(4-2)19-12-22-14-23-13-19;1-3-15-6-4-7-16(10-15)20(25)23-17-11-19(14-22-12-17)24(2)18-8-5-9-21-13-18;1-14-5-3-6-15(11-14)19(24)22-18-12-16(8-10-21-18)23(2)17-7-4-9-20-13-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-2-5-14(10-13)18(22)21-15-7-9-20-17(11-15)23-16-6-3-8-19-12-16;1-12-5-2-7-14(19-12)17(22)21-15-8-3-9-16(20-15)23-13-6-4-10-18-11-13;/h1,5-14H,4H2,2H3,(H,24,26);1,4-14H,2H3,(H,23,25);3-13H,1-2H3,(H,21,22,24);3-11H,1-2H3,(H,22,23,25);2-12H,1H3,(H,20,21,22);2-11H,1H3,(H,20,21,22);1H4.

What are the key properties of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide?

N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 1971.66 g/mol, XLogP of 22.09, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 158406793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).