4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide

C106H108N22O11S — CID 159751137

About 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide

4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 159751137) has the molecular formula C106H108N22O11S and a molecular weight of 1898.24 g/mol. Its IUPAC name is 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide
• PubChem CID: 159751137
• Molecular Formula: C106H108N22O11S
• Molecular Weight: 1898.24 g/mol
• Exact Mass: 1896.83
• IUPAC Name: 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide
• SMILES: CC(C)(C)c1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccn1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)c1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)cs1.Cc1noc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)n1
• InChI: InChI=1S/C30H29N5O3.C27H27N5O3S.C25H29N5O2.C24H23N7O3/c1-37-26-15-24(16-31-19-26)22-4-7-27(33-17-22)35-29(36)30(9-12-38-13-10-30)25-5-2-20(3-6-25)23-14-21-8-11-32-28(21)34-18-23;1-17-31-23(16-36-17)19-4-7-24(29-13-19)32-26(34)27(8-10-35-11-9-27)22-5-2-18(3-6-22)20-12-21(15-33)25(28)30-14-20;1-24(2,3)21-14-20(8-11-27-21)30-22(31)25(9-12-32-13-10-25)19-6-4-17(5-7-19)18-15-28-23(26)29-16-18;1-15-29-21(34-31-15)17-4-7-20(26-12-17)30-22(32)24(8-10-33-11-9-24)19-5-2-16(3-6-19)18-13-27-23(25)28-14-18/h2-7,14-19H,8-13H2,1H3,(H,32,34)(H,33,35,36);2-7,12-14,16,33H,8-11,15H2,1H3,(H2,28,30)(H,29,32,34);4-8,11,14-16H,9-10,12-13H2,1-3H3,(H2,26,28,29)(H,27,30,31);2-7,12-14H,8-11H2,1H3,(H2,25,27,28)(H,26,30,32)
• InChIKey: NDQZMVCUVPZLJS-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 466.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.24
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?

The IUPAC name of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide (CID 159751137) is 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide.

What is the SMILES notation for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?

The canonical SMILES for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide is CC(C)(C)c1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccn1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)c1.Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)cs1.Cc1noc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)nc2)n1.

What is the InChIKey of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?

The InChIKey is NDQZMVCUVPZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3.C27H27N5O3S.C25H29N5O2.C24H23N7O3/c1-37-26-15-24(16-31-19-26)22-4-7-27(33-17-22)35-29(36)30(9-12-38-13-10-30)25-5-2-20(3-6-25)23-14-21-8-11-32-28(21)34-18-23;1-17-31-23(16-36-17)19-4-7-24(29-13-19)32-26(34)27(8-10-35-11-9-27)22-5-2-18(3-6-22)20-12-21(15-33)25(28)30-14-20;1-24(2,3)21-14-20(8-11-27-21)30-22(31)25(9-12-32-13-10-25)19-6-4-17(5-7-19)18-15-28-23(26)29-16-18;1-15-29-21(34-31-15)17-4-7-20(26-12-17)30-22(32)24(8-10-33-11-9-24)19-5-2-16(3-6-19)18-13-27-23(25)28-14-18/h2-7,14-19H,8-13H2,1H3,(H,32,34)(H,33,35,36);2-7,12-14,16,33H,8-11,15H2,1H3,(H2,28,30)(H,29,32,34);4-8,11,14-16H,9-10,12-13H2,1-3H3,(H2,26,28,29)(H,27,30,31);2-7,12-14H,8-11H2,1H3,(H2,25,27,28)(H,26,30,32).

What are the key properties of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?

4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 1898.24 g/mol, XLogP of 16.48, 21 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 159751137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).