N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide

C28H35N3O4 — CID 58103339

IUPACN-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C28H35N3O4/c1-5-31(6-2)17-16-29-28(32)23-10-7-9-22(20-23)24-11-8-12-27(30-24)35-18-15-21-13-14-25(33-3)26(19-21)34-4/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,29,32)
InChIKeyUAELAPZCAUFANW-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.46
Rot. Bonds13

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

N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide (PubChem CID 58103339) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide
PubChem CID58103339
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC NameN-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C28H35N3O4/c1-5-31(6-2)17-16-29-28(32)23-10-7-9-22(20-23)24-11-8-12-27(30-24)35-18-15-21-13-14-25(33-3)26(19-21)34-4/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,29,32)
InChIKeyUAELAPZCAUFANW-UHFFFAOYSA-N
XLogP4.46
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-ethylbenzamide
CID 58103445
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 58103471
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 58103361
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 58103312
3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide
CID 58103239
1-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 66872460
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
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-(dimethylamino)butanamide
CID 70804283
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(dimethylamino)acetamide
CID 70804308
4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile
CID 58103215
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine
CID 66858018

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide (CID 58103339) is N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide is CCN(CC)CCNC(=O)c1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
The InChIKey is UAELAPZCAUFANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-5-31(6-2)17-16-29-28(32)23-10-7-9-22(20-23)24-11-8-12-27(30-24)35-18-15-21-13-14-25(33-3)26(19-21)34-4/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,29,32).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide has a molecular weight of 477.61 g/mol, XLogP of 4.46, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 58103339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).