2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide

C22H18N2O3 — CID 30544955

IUPAC2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1cccnc1
InChIInChI=1S/C22H18N2O3/c1-15-21(22(25)24-17-8-5-11-23-13-17)19-12-18(9-10-20(19)27-15)26-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFOEVNKDPNXQJCQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.97
Rot. Bonds5

About 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide

2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide (PubChem CID 30544955) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide
PubChem CID30544955
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1cccnc1
InChIInChI=1S/C22H18N2O3/c1-15-21(22(25)24-17-8-5-11-23-13-17)19-12-18(9-10-20(19)27-15)26-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFOEVNKDPNXQJCQ-UHFFFAOYSA-N
XLogP4.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide (CID 30544955) is 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide?
The InChIKey is FOEVNKDPNXQJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15-21(22(25)24-17-8-5-11-23-13-17)19-12-18(9-10-20(19)27-15)26-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide?
2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylmethoxy-N-pyridin-3-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 30544955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).