6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide

C30H37F3N4O4 — CID 155903365

About 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide

6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide (PubChem CID 155903365) has the molecular formula C30H37F3N4O4 and a molecular weight of 574.64 g/mol. Its IUPAC name is 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide.

Molecular Properties

• Compound Name: 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
• PubChem CID: 155903365
• Molecular Formula: C30H37F3N4O4
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.28
• IUPAC Name: 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
• SMILES: CCc1c(N(CC2CC2)C2CCN(CC(F)(F)F)CC2)cc2occc2c1C(=O)NCC1C(=O)N=C(C)C=C1OC
• InChI: InChI=1S/C30H37F3N4O4/c1-4-21-24(37(16-19-5-6-19)20-7-10-36(11-8-20)17-30(31,32)33)14-26-22(9-12-41-26)27(21)29(39)34-15-23-25(40-3)13-18(2)35-28(23)38/h9,12-14,19-20,23H,4-8,10-11,15-17H2,1-3H3,(H,34,39)
• InChIKey: ATHZABFGVHQCIX-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?

The IUPAC name of 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide (CID 155903365) is 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide.

What is the SMILES notation for 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?

The canonical SMILES for 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide is CCc1c(N(CC2CC2)C2CCN(CC(F)(F)F)CC2)cc2occc2c1C(=O)NCC1C(=O)N=C(C)C=C1OC.

What is the InChIKey of 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?

The InChIKey is ATHZABFGVHQCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F3N4O4/c1-4-21-24(37(16-19-5-6-19)20-7-10-36(11-8-20)17-30(31,32)33)14-26-22(9-12-41-26)27(21)29(39)34-15-23-25(40-3)13-18(2)35-28(23)38/h9,12-14,19-20,23H,4-8,10-11,15-17H2,1-3H3,(H,34,39).

What are the key properties of 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide?

6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide has a molecular weight of 574.64 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[cyclopropylmethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 155903365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).