7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide

C19H20N4O4 — CID 122318745

IUPAC7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nccc(N4CCOCC4)n3)oc12
InChIInChI=1S/C19H20N4O4/c1-25-14-4-2-3-13-11-15(27-18(13)14)19(24)21-12-16-20-6-5-17(22-16)23-7-9-26-10-8-23/h2-6,11H,7-10,12H2,1H3,(H,21,24)
InChIKeyBDWNAKCFQVQXDJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.00
Rot. Bonds5

About 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 122318745) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID122318745
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nccc(N4CCOCC4)n3)oc12
InChIInChI=1S/C19H20N4O4/c1-25-14-4-2-3-13-11-15(27-18(13)14)19(24)21-12-16-20-6-5-17(22-16)23-7-9-26-10-8-23/h2-6,11H,7-10,12H2,1H3,(H,21,24)
InChIKeyBDWNAKCFQVQXDJ-UHFFFAOYSA-N
XLogP2.00
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122317401
7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 136532576
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318855
3-methoxy-1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122318787
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318892
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 122318745) is 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3nccc(N4CCOCC4)n3)oc12.
What is the InChIKey of 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BDWNAKCFQVQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-14-4-2-3-13-11-15(27-18(13)14)19(24)21-12-16-20-6-5-17(22-16)23-7-9-26-10-8-23/h2-6,11H,7-10,12H2,1H3,(H,21,24).
What are the key properties of 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122318745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).