3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide

C23H23N3O3 — CID 101015453

IUPAC3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(NC(=O)Cc2cccc(C(=O)NCc3ccccn3)c2)ccc1C
InChIInChI=1S/C23H23N3O3/c1-16-9-10-19(14-21(16)29-2)26-22(27)13-17-6-5-7-18(12-17)23(28)25-15-20-8-3-4-11-24-20/h3-12,14H,13,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXVRRYOOUIQYVBP-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.51
Rot. Bonds7

About 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide

3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 101015453) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID101015453
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(NC(=O)Cc2cccc(C(=O)NCc3ccccn3)c2)ccc1C
InChIInChI=1S/C23H23N3O3/c1-16-9-10-19(14-21(16)29-2)26-22(27)13-17-6-5-7-18(12-17)23(28)25-15-20-8-3-4-11-24-20/h3-12,14H,13,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXVRRYOOUIQYVBP-UHFFFAOYSA-N
XLogP3.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 61239289

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide (CID 101015453) is 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide is COc1cc(NC(=O)Cc2cccc(C(=O)NCc3ccccn3)c2)ccc1C.
What is the InChIKey of 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is XVRRYOOUIQYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-9-10-19(14-21(16)29-2)26-22(27)13-17-6-5-7-18(12-17)23(28)25-15-20-8-3-4-11-24-20/h3-12,14H,13,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 101015453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).