7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

C21H25N3O3 — CID 166192029

IUPAC7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCN(c3ccccn3)C2)cc2c1OC(C)C2
InChIInChI=1S/C21H25N3O3/c1-14-10-15-11-16(12-18(26-2)20(15)27-14)21(25)23-17-6-5-9-24(13-17)19-7-3-4-8-22-19/h3-4,7-8,11-12,14,17H,5-6,9-10,13H2,1-2H3,(H,23,25)
InChIKeyUNANNVORKFWPAA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.81
Rot. Bonds4

About 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 166192029) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID166192029
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCN(c3ccccn3)C2)cc2c1OC(C)C2
InChIInChI=1S/C21H25N3O3/c1-14-10-15-11-16(12-18(26-2)20(15)27-14)21(25)23-17-6-5-9-24(13-17)19-7-3-4-8-22-19/h3-4,7-8,11-12,14,17H,5-6,9-10,13H2,1-2H3,(H,23,25)
InChIKeyUNANNVORKFWPAA-UHFFFAOYSA-N
XLogP2.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

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Related Compounds

7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166179895
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
3,5-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 124573326
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 9453568
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
2-oxo-6-propan-2-yl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyridine-3-carboxamide
CID 124983244
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 166192029) is 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is COc1cc(C(=O)NC2CCCN(c3ccccn3)C2)cc2c1OC(C)C2.
What is the InChIKey of 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is UNANNVORKFWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-10-15-11-16(12-18(26-2)20(15)27-14)21(25)23-17-6-5-9-24(13-17)19-7-3-4-8-22-19/h3-4,7-8,11-12,14,17H,5-6,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 166192029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).