N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide

C23H25N3O3 — CID 113013902

IUPACN-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-4-7-18(8-5-16)23(27)26-19-9-11-22(25-15-19)24-13-12-17-6-10-20(28-2)21(14-17)29-3/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyIPFJJVVUJAOOLB-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.31
Rot. Bonds8

About N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide

N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide (PubChem CID 113013902) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
PubChem CID113013902
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-4-7-18(8-5-16)23(27)26-19-9-11-22(25-15-19)24-13-12-17-6-10-20(28-2)21(14-17)29-3/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyIPFJJVVUJAOOLB-UHFFFAOYSA-N
XLogP4.31
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
CID 113013912
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237774
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055041
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109158658
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109193638

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide (CID 113013902) is N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide is COc1ccc(CCNc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1OC.
What is the InChIKey of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide?
The InChIKey is IPFJJVVUJAOOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-7-18(8-5-16)23(27)26-19-9-11-22(25-15-19)24-13-12-17-6-10-20(28-2)21(14-17)29-3/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide?
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113013902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).