7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide

C20H22N4O4 — CID 136666518

IUPAC7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCN(c4nc(C)cc(=O)[nH]4)CC3)oc12
InChIInChI=1S/C20H22N4O4/c1-12-10-17(25)23-20(21-12)24-8-6-14(7-9-24)22-19(26)16-11-13-4-3-5-15(27-2)18(13)28-16/h3-5,10-11,14H,6-9H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyRGEXRMMANNTFKR-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.23
Rot. Bonds4

About 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 136666518) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
PubChem CID136666518
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCN(c4nc(C)cc(=O)[nH]4)CC3)oc12
InChIInChI=1S/C20H22N4O4/c1-12-10-17(25)23-20(21-12)24-8-6-14(7-9-24)22-19(26)16-11-13-4-3-5-15(27-2)18(13)28-16/h3-5,10-11,14H,6-9H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyRGEXRMMANNTFKR-UHFFFAOYSA-N
XLogP2.23
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
7-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 91817853
3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
CID 136662623
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 136666555
2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136666562
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
7-methoxy-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-2-carboxamide
CID 99987504
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
CID 136962362
7-methoxy-N-[(1R,5S)-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-2-carboxamide
CID 154876248
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71785684

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide (CID 136666518) is 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC3CCN(c4nc(C)cc(=O)[nH]4)CC3)oc12.
What is the InChIKey of 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is RGEXRMMANNTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-10-17(25)23-20(21-12)24-8-6-14(7-9-24)22-19(26)16-11-13-4-3-5-15(27-2)18(13)28-16/h3-5,10-11,14H,6-9H2,1-2H3,(H,22,26)(H,21,23,25).
What are the key properties of 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 136666518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).