3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide

C30H29N3O5 — CID 58103239

IUPAC3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide
SMILESCOc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4cccc(NC(C)=O)c4)c3)n2)cc1OC
InChIInChI=1S/C30H29N3O5/c1-20(34)31-24-9-5-8-23(19-24)30(35)32-25-10-4-7-22(18-25)26-11-6-12-29(33-26)38-16-15-21-13-14-27(36-2)28(17-21)37-3/h4-14,17-19H,15-16H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyMSDRPLGKQDVSLN-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.60
Rot. Bonds10

About 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide

3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide (PubChem CID 58103239) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide
PubChem CID58103239
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC Name3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide
SMILESCOc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4cccc(NC(C)=O)c4)c3)n2)cc1OC
InChIInChI=1S/C30H29N3O5/c1-20(34)31-24-9-5-8-23(19-24)30(35)32-25-10-4-7-22(18-25)26-11-6-12-29(33-26)38-16-15-21-13-14-27(36-2)28(17-21)37-3/h4-14,17-19H,15-16H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyMSDRPLGKQDVSLN-UHFFFAOYSA-N
XLogP5.60
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide
CID 70804278
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
CID 70804281
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-ethylbenzamide
CID 58103445
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 70804376
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(dimethylamino)acetamide
CID 70804308
N'-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]butanediamide
CID 58103273
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 70804284
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-(dimethylamino)butanamide
CID 70804283
1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 66872460
N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide
CID 58103339
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 58103471
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide
CID 58103354

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide (CID 58103239) is 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide is COc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4cccc(NC(C)=O)c4)c3)n2)cc1OC.
What is the InChIKey of 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide?
The InChIKey is MSDRPLGKQDVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-20(34)31-24-9-5-8-23(19-24)30(35)32-25-10-4-7-22(18-25)26-11-6-12-29(33-26)38-16-15-21-13-14-27(36-2)28(17-21)37-3/h4-14,17-19H,15-16H2,1-3H3,(H,31,34)(H,32,35).
What are the key properties of 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide?
3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide has a molecular weight of 511.58 g/mol, XLogP of 5.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 58103239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).