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

C19H25N3O3 — CID 113013990

IUPACN-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNc2ccc(NC(=O)C(C)(C)C)cn2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-19(2,3)18(23)22-14-7-9-17(21-12-14)20-11-13-6-8-15(24-4)16(10-13)25-5/h6-10,12H,11H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyQFRQMHLTIAWYTE-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.70
Rot. Bonds6

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

N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 113013990) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID113013990
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNc2ccc(NC(=O)C(C)(C)C)cn2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-19(2,3)18(23)22-14-7-9-17(21-12-14)20-11-13-6-8-15(24-4)16(10-13)25-5/h6-10,12H,11H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyQFRQMHLTIAWYTE-UHFFFAOYSA-N
XLogP3.70
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113029060
ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
CID 113013912
3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 113011350
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109159913

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide (CID 113013990) is N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide is COc1ccc(CNc2ccc(NC(=O)C(C)(C)C)cn2)cc1OC.
What is the InChIKey of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is QFRQMHLTIAWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)18(23)22-14-7-9-17(21-12-14)20-11-13-6-8-15(24-4)16(10-13)25-5/h6-10,12H,11H2,1-5H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide?
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 343.43 g/mol, XLogP of 3.70, 6 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-dimethylpropanamide is sourced from PubChem (CID 113013990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).