N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide

C21H22N2O3 — CID 91773704

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NC(Cc3ccncc3)C3CC(O)C3)c2o1
InChIInChI=1S/C21H22N2O3/c1-13-9-15-3-2-4-18(20(15)26-13)21(25)23-19(16-11-17(24)12-16)10-14-5-7-22-8-6-14/h2-9,16-17,19,24H,10-12H2,1H3,(H,23,25)
InChIKeyCRPUDMVZARYNDF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.25
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide (PubChem CID 91773704) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide
PubChem CID91773704
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NC(Cc3ccncc3)C3CC(O)C3)c2o1
InChIInChI=1S/C21H22N2O3/c1-13-9-15-3-2-4-18(20(15)26-13)21(25)23-19(16-11-17(24)12-16)10-14-5-7-22-8-6-14/h2-9,16-17,19,24H,10-12H2,1H3,(H,23,25)
InChIKeyCRPUDMVZARYNDF-UHFFFAOYSA-N
XLogP3.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide (CID 91773704) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)NC(Cc3ccncc3)C3CC(O)C3)c2o1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide?
The InChIKey is CRPUDMVZARYNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-9-15-3-2-4-18(20(15)26-13)21(25)23-19(16-11-17(24)12-16)10-14-5-7-22-8-6-14/h2-9,16-17,19,24H,10-12H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide is sourced from PubChem (CID 91773704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).