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

C20H24N4O3 — CID 166179895

IUPAC7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCN(c3ncccn3)C2)cc2c1OC(C)C2
InChIInChI=1S/C20H24N4O3/c1-13-9-14-10-15(11-17(26-2)18(14)27-13)19(25)23-16-5-3-8-24(12-16)20-21-6-4-7-22-20/h4,6-7,10-11,13,16H,3,5,8-9,12H2,1-2H3,(H,23,25)
InChIKeyOLJLJVOYAQJRSR-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.21
Rot. Bonds4

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

7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 166179895) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID166179895
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCN(c3ncccn3)C2)cc2c1OC(C)C2
InChIInChI=1S/C20H24N4O3/c1-13-9-14-10-15(11-17(26-2)18(14)27-13)19(25)23-16-5-3-8-24(12-16)20-21-6-4-7-22-20/h4,6-7,10-11,13,16H,3,5,8-9,12H2,1-2H3,(H,23,25)
InChIKeyOLJLJVOYAQJRSR-UHFFFAOYSA-N
XLogP2.21
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-2-methyl-N-(1-pyrimidin-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-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166192029
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 9453568
5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
CID 60794005
1-(5-chloro-2,4-dimethoxyphenyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809472
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 138036782
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 42556906
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 166179895) is 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is COc1cc(C(=O)NC2CCCN(c3ncccn3)C2)cc2c1OC(C)C2.
What is the InChIKey of 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is OLJLJVOYAQJRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-9-14-10-15(11-17(26-2)18(14)27-13)19(25)23-16-5-3-8-24(12-16)20-21-6-4-7-22-20/h4,6-7,10-11,13,16H,3,5,8-9,12H2,1-2H3,(H,23,25).
What are the key properties of 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 166179895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).