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

C31H39N3O5 — CID 135332309

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

2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide (PubChem CID 135332309) has the molecular formula C31H39N3O5 and a molecular weight of 533.67 g/mol. Its IUPAC name is 2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
• PubChem CID: 135332309
• Molecular Formula: C31H39N3O5
• Molecular Weight: 533.67 g/mol
• Exact Mass: 533.29
• IUPAC Name: 2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
• SMILES: CCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
• InChI: InChI=1S/C31H39N3O5/c1-4-22-25(34(17-19-5-6-19)21-9-11-38-12-10-21)15-28-23(14-26(39-28)20-7-8-20)29(22)31(36)32-16-24-27(37-3)13-18(2)33-30(24)35/h13-15,19-21H,4-12,16-17H2,1-3H3,(H,32,36)(H,33,35)
• InChIKey: YAKITRPSRIZPFC-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 96.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.67
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide (CID 135332309) is 2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide.

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

The canonical SMILES for 2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide is CCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.

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

The InChIKey is YAKITRPSRIZPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O5/c1-4-22-25(34(17-19-5-6-19)21-9-11-38-12-10-21)15-28-23(14-26(39-28)20-7-8-20)29(22)31(36)32-16-24-27(37-3)13-18(2)33-30(24)35/h13-15,19-21H,4-12,16-17H2,1-3H3,(H,32,36)(H,33,35).

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

2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide has a molecular weight of 533.67 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 135332309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).