N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C22H27N5O2 — CID 55848814

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(OCc3nccn3C)cc2)cn1
InChIInChI=1S/C22H27N5O2/c1-4-27(5-2)20-11-6-17(14-24-20)15-25-22(28)18-7-9-19(10-8-18)29-16-21-23-12-13-26(21)3/h6-14H,4-5,15-16H2,1-3H3,(H,25,28)
InChIKeyWKVSDDYLFUAUTG-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.17
Rot. Bonds9

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55848814) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55848814
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(OCc3nccn3C)cc2)cn1
InChIInChI=1S/C22H27N5O2/c1-4-27(5-2)20-11-6-17(14-24-20)15-25-22(28)18-7-9-19(10-8-18)29-16-21-23-12-13-26(21)3/h6-14H,4-5,15-16H2,1-3H3,(H,25,28)
InChIKeyWKVSDDYLFUAUTG-UHFFFAOYSA-N
XLogP3.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55848814) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CCN(CC)c1ccc(CNC(=O)c2ccc(OCc3nccn3C)cc2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is WKVSDDYLFUAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-27(5-2)20-11-6-17(14-24-20)15-25-22(28)18-7-9-19(10-8-18)29-16-21-23-12-13-26(21)3/h6-14H,4-5,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55848814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).