N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide

C23H25N3O3 — CID 113014017

IUPACN-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3ccccc3C)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)13-23(27)26-19-9-11-22(25-15-19)24-14-17-8-10-20(28-2)21(12-17)29-3/h4-12,15H,13-14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyGPVSKACRMRWAGX-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.20
Rot. Bonds8

About N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide

N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113014017) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113014017
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3ccccc3C)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)13-23(27)26-19-9-11-22(25-15-19)24-14-17-8-10-20(28-2)21(12-17)29-3/h4-12,15H,13-14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyGPVSKACRMRWAGX-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113013990
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113027443
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109159891
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113014017) is N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide is COc1ccc(CNc2ccc(NC(=O)Cc3ccccc3C)cn2)cc1OC.
What is the InChIKey of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is GPVSKACRMRWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)13-23(27)26-19-9-11-22(25-15-19)24-14-17-8-10-20(28-2)21(12-17)29-3/h4-12,15H,13-14H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113014017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).