6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide

C22H26N2O3 — CID 97113120

IUPAC6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)c1oc2cc(OC)ccc2c1C
InChIInChI=1S/C22H26N2O3/c1-5-6-9-19(16-8-7-12-23-14-16)24(3)22(25)21-15(2)18-11-10-17(26-4)13-20(18)27-21/h7-8,10-14,19H,5-6,9H2,1-4H3/t19-/m1/s1
InChIKeyCWKUNDWKCGFUOW-LJQANCHMSA-N
MW366.46 g/mol
LogP5.15
Rot. Bonds7

About 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide

6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide (PubChem CID 97113120) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
PubChem CID97113120
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)c1oc2cc(OC)ccc2c1C
InChIInChI=1S/C22H26N2O3/c1-5-6-9-19(16-8-7-12-23-14-16)24(3)22(25)21-15(2)18-11-10-17(26-4)13-20(18)27-21/h7-8,10-14,19H,5-6,9H2,1-4H3/t19-/m1/s1
InChIKeyCWKUNDWKCGFUOW-LJQANCHMSA-N
XLogP5.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide (CID 97113120) is 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide is CCCC[C@H](c1cccnc1)N(C)C(=O)c1oc2cc(OC)ccc2c1C.
What is the InChIKey of 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide?
The InChIKey is CWKUNDWKCGFUOW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-6-9-19(16-8-7-12-23-14-16)24(3)22(25)21-15(2)18-11-10-17(26-4)13-20(18)27-21/h7-8,10-14,19H,5-6,9H2,1-4H3/t19-/m1/s1.
What are the key properties of 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide?
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97113120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).