6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide

C28H24ClN5O5 — CID 170671105

About 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide

6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 170671105) has the molecular formula C28H24ClN5O5 and a molecular weight of 545.98 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
• PubChem CID: 170671105
• Molecular Formula: C28H24ClN5O5
• Molecular Weight: 545.98 g/mol
• Exact Mass: 545.15
• IUPAC Name: 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
• SMILES: Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C(=O)NCc2n[nH]c(=O)o2)c2oc(-c3ccccc3)c(C)c(=O)c2c1
• InChI: InChI=1S/C28H24ClN5O5/c1-14-11-18(26-19(12-14)24(35)15(2)25(39-26)17-7-5-4-6-8-17)16(3)31-20-9-10-21(29)32-23(20)27(36)30-13-22-33-34-28(37)38-22/h4-12,16,31H,13H2,1-3H3,(H,30,36)(H,34,37)/t16-/m1/s1
• InChIKey: WJQFYWGTUXJWMQ-MRXNPFEDSA-N
• XLogP: 4.90
• TPSA: 143.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.98
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?

The IUPAC name of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (CID 170671105) is 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?

The canonical SMILES for 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C(=O)NCc2n[nH]c(=O)o2)c2oc(-c3ccccc3)c(C)c(=O)c2c1.

What is the InChIKey of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?

The InChIKey is WJQFYWGTUXJWMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C28H24ClN5O5/c1-14-11-18(26-19(12-14)24(35)15(2)25(39-26)17-7-5-4-6-8-17)16(3)31-20-9-10-21(29)32-23(20)27(36)30-13-22-33-34-28(37)38-22/h4-12,16,31H,13H2,1-3H3,(H,30,36)(H,34,37)/t16-/m1/s1.

What are the key properties of 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?

6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 545.98 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 170671105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).