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

C13H21N3O3 — CID 103172328

IUPAC2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccnc(CNC(C)C(=O)N(C)C)c1OC
InChIInChI=1S/C13H21N3O3/c1-9(13(17)16(2)3)15-8-10-12(19-5)11(18-4)6-7-14-10/h6-7,9,15H,8H2,1-5H3
InChIKeyPAOZLEAXUSULJI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.67
Rot. Bonds6

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

2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 103172328) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide
PubChem CID103172328
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccnc(CNC(C)C(=O)N(C)C)c1OC
InChIInChI=1S/C13H21N3O3/c1-9(13(17)16(2)3)15-8-10-12(19-5)11(18-4)6-7-14-10/h6-7,9,15H,8H2,1-5H3
InChIKeyPAOZLEAXUSULJI-UHFFFAOYSA-N
XLogP0.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
CID 103172348
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
(1S)-1-(4-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172619
1-(4-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172357
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxypropan-2-amine
CID 106180582
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274
(1S)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103172621

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide (CID 103172328) is 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide is COc1ccnc(CNC(C)C(=O)N(C)C)c1OC.
What is the InChIKey of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is PAOZLEAXUSULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(13(17)16(2)3)15-8-10-12(19-5)11(18-4)6-7-14-10/h6-7,9,15H,8H2,1-5H3.
What are the key properties of 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide?
2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103172328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).