2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide

C18H22BrN3O3 — CID 139919396

IUPAC2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cncc(Br)c2)cc1OCCN(C)C
InChIInChI=1S/C18H22BrN3O3/c1-22(2)6-7-25-17-10-15(4-5-16(17)24-3)21-18(23)9-13-8-14(19)12-20-11-13/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,21,23)
InChIKeyWTAWXDSQTSAKAP-UHFFFAOYSA-N
MW408.30 g/mol
LogP2.97
Rot. Bonds8

About 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide

2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide (PubChem CID 139919396) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide
PubChem CID139919396
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC Name2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cncc(Br)c2)cc1OCCN(C)C
InChIInChI=1S/C18H22BrN3O3/c1-22(2)6-7-25-17-10-15(4-5-16(17)24-3)21-18(23)9-13-8-14(19)12-20-11-13/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,21,23)
InChIKeyWTAWXDSQTSAKAP-UHFFFAOYSA-N
XLogP2.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 139912017
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide
CID 139919354
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide
CID 139725586
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
2-(4-butylphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624153
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(furan-2-yl)acetamide
CID 139919411
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide (CID 139919396) is 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)Cc2cncc(Br)c2)cc1OCCN(C)C.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide?
The InChIKey is WTAWXDSQTSAKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c1-22(2)6-7-25-17-10-15(4-5-16(17)24-3)21-18(23)9-13-8-14(19)12-20-11-13/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,21,23).
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide?
2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide has a molecular weight of 408.30 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 139919396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).