6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

C23H25ClN2O4 — CID 26835057

About 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 26835057) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
• PubChem CID: 26835057
• Molecular Formula: C23H25ClN2O4
• Molecular Weight: 428.92 g/mol
• Exact Mass: 428.15
• IUPAC Name: 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
• SMILES: Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)o1
• InChI: InChI=1S/C23H25ClN2O4/c1-14-10-21-16(11-17(14)24)19(27)12-22(30-21)23(28)25-13-18(20-7-6-15(2)29-20)26-8-4-3-5-9-26/h6-7,10-12,18H,3-5,8-9,13H2,1-2H3,(H,25,28)/t18-/m1/s1
• InChIKey: YIZPSIAFIIQJCR-GOSISDBHSA-N
• XLogP: 4.61
• TPSA: 75.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.92
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?

The IUPAC name of 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (CID 26835057) is 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?

The canonical SMILES for 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)o1.

What is the InChIKey of 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?

The InChIKey is YIZPSIAFIIQJCR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-14-10-21-16(11-17(14)24)19(27)12-22(30-21)23(28)25-13-18(20-7-6-15(2)29-20)26-8-4-3-5-9-26/h6-7,10-12,18H,3-5,8-9,13H2,1-2H3,(H,25,28)/t18-/m1/s1.

What are the key properties of 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?

6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 26835057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).