7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide

C20H21N3O3 — CID 136532576

IUPAC7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)oc12
InChIInChI=1S/C20H21N3O3/c1-14-4-2-5-15-12-17(26-19(14)15)20(24)21-13-16-6-3-7-18(22-16)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyRBARORINCVVMLS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds4

About 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide

7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 136532576) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID136532576
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)oc12
InChIInChI=1S/C20H21N3O3/c1-14-4-2-5-15-12-17(26-19(14)15)20(24)21-13-16-6-3-7-18(22-16)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyRBARORINCVVMLS-UHFFFAOYSA-N
XLogP2.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136549928
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136547172
1,6-dimethyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 136550911
2-methyl-5-[[(6-morpholin-4-yl-2-pyridinyl)methylamino]methyl]phenol
CID 167980202
4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 136532888
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 167960615
1-(2-methoxyethyl)-6-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 167887604
2-(2-methylpropyl)-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 136532891
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186
N-methyl-4-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyridine-2-carboxamide
CID 139019313
3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide
CID 136554218

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide (CID 136532576) is 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide is Cc1cccc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)oc12.
What is the InChIKey of 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is RBARORINCVVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-4-2-5-15-12-17(26-19(14)15)20(24)21-13-16-6-3-7-18(22-16)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,24).
What are the key properties of 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide?
7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 136532576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).