N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide

C23H26N4O2 — CID 68945225

IUPACN-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2cncc(-c3cccc(C(=O)NCCN(C)C)c3)c2)cc1
InChIInChI=1S/C23H26N4O2/c1-27(2)12-11-25-23(28)18-6-4-5-17(13-18)19-14-21(16-24-15-19)26-20-7-9-22(29-3)10-8-20/h4-10,13-16,26H,11-12H2,1-3H3,(H,25,28)
InChIKeyXRPZLEZDQXKHBP-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide

N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide (PubChem CID 68945225) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide
PubChem CID68945225
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2cncc(-c3cccc(C(=O)NCCN(C)C)c3)c2)cc1
InChIInChI=1S/C23H26N4O2/c1-27(2)12-11-25-23(28)18-6-4-5-17(13-18)19-14-21(16-24-15-19)26-20-7-9-22(29-3)10-8-20/h4-10,13-16,26H,11-12H2,1-3H3,(H,25,28)
InChIKeyXRPZLEZDQXKHBP-UHFFFAOYSA-N
XLogP3.79
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238273
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
CID 144980314
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide (CID 68945225) is N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide is COc1ccc(Nc2cncc(-c3cccc(C(=O)NCCN(C)C)c3)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is XRPZLEZDQXKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(2)12-11-25-23(28)18-6-4-5-17(13-18)19-14-21(16-24-15-19)26-20-7-9-22(29-3)10-8-20/h4-10,13-16,26H,11-12H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 68945225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).