N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide

C141H132N24O16S5 — CID 159922881

About N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide

N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 159922881) has the molecular formula C141H132N24O16S5 and a molecular weight of 2579.09 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide
• PubChem CID: 159922881
• Molecular Formula: C141H132N24O16S5
• Molecular Weight: 2579.09 g/mol
• Exact Mass: 2576.89
• IUPAC Name: N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide
• SMILES: CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)cc3)ccc21.CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21.CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2ncns2)cc1.CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2ncns2)cc1.CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2C3C2(C(=O)Nc3nncs3)CCC2)cc1
• InChI: InChI=1S/C29H27N5O4S.C29H27N5O3S.C28H25N5O3S.C28H27N5O3S.C27H26N4O3S/c1-29(2,27(36)33-28-30-17-31-39-28)24-20-5-3-4-6-23(20)38-25-21(24)11-12-22(32-25)18-7-9-19(10-8-18)26(35)34-13-15-37-16-14-34;1-29(2,27(36)33-28-30-17-31-38-28)24-20-7-3-4-8-23(20)37-25-21(24)13-14-22(32-25)18-9-11-19(12-10-18)26(35)34-15-5-6-16-34;1-33(2)25(34)18-10-8-17(9-11-18)21-13-12-20-23(19-6-3-4-7-22(19)36-24(20)30-21)28(14-5-15-28)26(35)31-27-32-29-16-37-27;1-5-33(4)25(34)18-12-10-17(11-13-18)21-15-14-20-23(19-8-6-7-9-22(19)36-24(20)31-21)28(2,3)26(35)32-27-29-16-30-37-27;1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)30-21)27(3,4)25(32)31-26-28-15-29-35-26/h3-12,17,24H,13-16H2,1-2H3,(H,30,31,33,36);3-4,7-14,17,24H,5-6,15-16H2,1-2H3,(H,30,31,33,36);3-4,6-13,16,23H,5,14-15H2,1-2H3,(H,31,32,35);6-16,23H,5H2,1-4H3,(H,29,30,32,35);5-16,23H,1-4H3,(H,28,29,31,32)/t2*24-;;2*23-/m00.00/s1
• InChIKey: NYQFNXNUXHUSKK-MSHBDWKMSA-N
• XLogP: 27.95
• TPSA: 484.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.09
LogP ≤ 5	27.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide?

The IUPAC name of N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide (CID 159922881) is N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide.

What is the SMILES notation for N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide?

The canonical SMILES for N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide is CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)cc3)ccc21.CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21.CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2ncns2)cc1.CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2ncns2)cc1.CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2C3C2(C(=O)Nc3nncs3)CCC2)cc1.

What is the InChIKey of N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide?

The InChIKey is NYQFNXNUXHUSKK-MSHBDWKMSA-N. The full InChI is InChI=1S/C29H27N5O4S.C29H27N5O3S.C28H25N5O3S.C28H27N5O3S.C27H26N4O3S/c1-29(2,27(36)33-28-30-17-31-39-28)24-20-5-3-4-6-23(20)38-25-21(24)11-12-22(32-25)18-7-9-19(10-8-18)26(35)34-13-15-37-16-14-34;1-29(2,27(36)33-28-30-17-31-38-28)24-20-7-3-4-8-23(20)37-25-21(24)13-14-22(32-25)18-9-11-19(12-10-18)26(35)34-15-5-6-16-34;1-33(2)25(34)18-10-8-17(9-11-18)21-13-12-20-23(19-6-3-4-7-22(19)36-24(20)30-21)28(14-5-15-28)26(35)31-27-32-29-16-37-27;1-5-33(4)25(34)18-12-10-17(11-13-18)21-15-14-20-23(19-8-6-7-9-22(19)36-24(20)31-21)28(2,3)26(35)32-27-29-16-30-37-27;1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)30-21)27(3,4)25(32)31-26-28-15-29-35-26/h3-12,17,24H,13-16H2,1-2H3,(H,30,31,33,36);3-4,7-14,17,24H,5-6,15-16H2,1-2H3,(H,30,31,33,36);3-4,6-13,16,23H,5,14-15H2,1-2H3,(H,31,32,35);6-16,23H,5H2,1-4H3,(H,29,30,32,35);5-16,23H,1-4H3,(H,28,29,31,32)/t2*24-;;2*23-/m00.00/s1.

What are the key properties of N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide?

N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 2579.09 g/mol, XLogP of 27.95, 27 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 159922881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).