N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide

C20H23N3O3 — CID 167877793

IUPACN-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3cccc4c3CCO4)ccn2)CC1
InChIInChI=1S/C20H23N3O3/c1-23-10-6-15(7-11-23)26-19-13-14(5-9-21-19)22-20(24)17-3-2-4-18-16(17)8-12-25-18/h2-5,9,13,15H,6-8,10-12H2,1H3,(H,21,22,24)
InChIKeyRORSNQRNXCWNAJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide

N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide (PubChem CID 167877793) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide
PubChem CID167877793
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3cccc4c3CCO4)ccn2)CC1
InChIInChI=1S/C20H23N3O3/c1-23-10-6-15(7-11-23)26-19-13-14(5-9-21-19)22-20(24)17-3-2-4-18-16(17)8-12-25-18/h2-5,9,13,15H,6-8,10-12H2,1H3,(H,21,22,24)
InChIKeyRORSNQRNXCWNAJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-5-carboxamide
CID 166209151
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-4-carboxamide
CID 167934524
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]cinnoline-4-carboxamide
CID 167774517
N-methyl-2-(1-methylpiperidin-4-yl)oxypyridin-4-amine;dihydrochloride
CID 66688370
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide
CID 97250434
N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide
CID 167912431
2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 22249252
(4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide
CID 144928927
5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10286832
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382515

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide (CID 167877793) is N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide is CN1CCC(Oc2cc(NC(=O)c3cccc4c3CCO4)ccn2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The InChIKey is RORSNQRNXCWNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23-10-6-15(7-11-23)26-19-13-14(5-9-21-19)22-20(24)17-3-2-4-18-16(17)8-12-25-18/h2-5,9,13,15H,6-8,10-12H2,1H3,(H,21,22,24).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 167877793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).