3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide

C12H19N3O2 — CID 114167524

IUPAC3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncccc1OC
InChIInChI=1S/C12H19N3O2/c1-12(2,11(16)13-3)8-15-10-9(17-4)6-5-7-14-10/h5-7H,8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyVFVDGIPUQFZWHQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.27
Rot. Bonds5

About 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide

3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide (PubChem CID 114167524) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
PubChem CID114167524
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncccc1OC
InChIInChI=1S/C12H19N3O2/c1-12(2,11(16)13-3)8-15-10-9(17-4)6-5-7-14-10/h5-7H,8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyVFVDGIPUQFZWHQ-UHFFFAOYSA-N
XLogP1.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106171996
3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106278262
N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
CID 103823304
N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide
CID 119052985
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823311
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278290

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide (CID 114167524) is 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncccc1OC.
What is the InChIKey of 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is VFVDGIPUQFZWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,11(16)13-3)8-15-10-9(17-4)6-5-7-14-10/h5-7H,8H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 114167524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).