3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide

C22H23N3O3 — CID 131946490

IUPAC3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cccc(CN(C)C)c2)cn1
InChIInChI=1S/C22H23N3O3/c1-25(2)15-16-7-6-8-17(13-16)22(26)24-18-11-12-21(23-14-18)28-20-10-5-4-9-19(20)27-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyISHCPDQBUHMDIK-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.20
Rot. Bonds7

About 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide

3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide (PubChem CID 131946490) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide
PubChem CID131946490
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cccc(CN(C)C)c2)cn1
InChIInChI=1S/C22H23N3O3/c1-25(2)15-16-7-6-8-17(13-16)22(26)24-18-11-12-21(23-14-18)28-20-10-5-4-9-19(20)27-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyISHCPDQBUHMDIK-UHFFFAOYSA-N
XLogP4.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 25054826
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide
CID 55879438
4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 11582018
N-[4-(2-methoxyphenoxy)phenyl]-3-pyridin-2-yloxybenzamide
CID 90596755
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-methylbenzamide
CID 25054568
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide (CID 131946490) is 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide is COc1ccccc1Oc1ccc(NC(=O)c2cccc(CN(C)C)c2)cn1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide?
The InChIKey is ISHCPDQBUHMDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(2)15-16-7-6-8-17(13-16)22(26)24-18-11-12-21(23-14-18)28-20-10-5-4-9-19(20)27-3/h4-14H,15H2,1-3H3,(H,24,26).
What are the key properties of 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide?
3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 131946490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).