2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide

C12H19N3O2 — CID 78928633

IUPAC2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(O)c(CNCC(=O)NC(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)14-12(17)7-13-6-10-11(16)5-4-9(3)15-10/h4-5,8,13,16H,6-7H2,1-3H3,(H,14,17)
InChIKeyJPNFXKMIBUHZBU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds5

About 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide

2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide (PubChem CID 78928633) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
PubChem CID78928633
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(O)c(CNCC(=O)NC(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)14-12(17)7-13-6-10-11(16)5-4-9(3)15-10/h4-5,8,13,16H,6-7H2,1-3H3,(H,14,17)
InChIKeyJPNFXKMIBUHZBU-UHFFFAOYSA-N
XLogP0.71
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide 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

3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79150987
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
CID 79033166
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
CID 103645101
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294
1-[2-[[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119122133
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
CID 78928923
6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol
CID 78928982
6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 78928839

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide (CID 78928633) is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide is Cc1ccc(O)c(CNCC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is JPNFXKMIBUHZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)14-12(17)7-13-6-10-11(16)5-4-9(3)15-10/h4-5,8,13,16H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide?
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 78928633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).