3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide

C12H19N3O2 — CID 113373335

IUPAC3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCc1ccc(O)cn1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-12(17)5-6-13-7-10-3-4-11(16)8-14-10/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,15,17)
InChIKeyQSWVSNGBNUERTF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds6

About 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide

3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 113373335) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID113373335
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCc1ccc(O)cn1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-12(17)5-6-13-7-10-3-4-11(16)8-14-10/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,15,17)
InChIKeyQSWVSNGBNUERTF-UHFFFAOYSA-N
XLogP0.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79783660
3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79775943
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60777585
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 87021486
N-propan-2-yl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438048
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688880
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717
3-[2-[(5-hydroxy-2-pyridinyl)methylamino]ethyl]-1-methyl-1-sulfanylurea
CID 57028120
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
N-[1-(5-hydroxy-2-pyridinyl)propan-2-yl]acetamide
CID 70511642
6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol
CID 79794102

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide (CID 113373335) is 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCc1ccc(O)cn1.
What is the InChIKey of 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is QSWVSNGBNUERTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-12(17)5-6-13-7-10-3-4-11(16)8-14-10/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113373335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).