2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide

C14H21N3O3 — CID 63097814

IUPAC2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCOc1ccc(CNCC(=O)NC2CCOCC2)cn1
InChIInChI=1S/C14H21N3O3/c1-19-14-3-2-11(9-16-14)8-15-10-13(18)17-12-4-6-20-7-5-12/h2-3,9,12,15H,4-8,10H2,1H3,(H,17,18)
InChIKeyJHEJNNBBKQPMBR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.47
Rot. Bonds6

About 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide

2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63097814) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
PubChem CID63097814
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCOc1ccc(CNCC(=O)NC2CCOCC2)cn1
InChIInChI=1S/C14H21N3O3/c1-19-14-3-2-11(9-16-14)8-15-10-13(18)17-12-4-6-20-7-5-12/h2-3,9,12,15H,4-8,10H2,1H3,(H,17,18)
InChIKeyJHEJNNBBKQPMBR-UHFFFAOYSA-N
XLogP0.47
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide 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

N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 62990803
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
N-(oxan-4-yl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178209
N-(4-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989750
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
1-[(6-methoxy-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 62991338
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231
N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
CID 166245926

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide (CID 63097814) is 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide is COc1ccc(CNCC(=O)NC2CCOCC2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is JHEJNNBBKQPMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-14-3-2-11(9-16-14)8-15-10-13(18)17-12-4-6-20-7-5-12/h2-3,9,12,15H,4-8,10H2,1H3,(H,17,18).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide?
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63097814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).