N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide

C13H21N3O2 — CID 113392289

IUPACN-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCc1ccc(O)c(NC(=O)CCCNC(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)14-8-4-5-12(18)16-13-11(17)7-6-10(3)15-13/h6-7,9,14,17H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyODKRUKUQXZKEJZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.81
Rot. Bonds6

About N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide

N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide (PubChem CID 113392289) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide
PubChem CID113392289
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCc1ccc(O)c(NC(=O)CCCNC(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)14-8-4-5-12(18)16-13-11(17)7-6-10(3)15-13/h6-7,9,14,17H,4-5,8H2,1-3H3,(H,15,16,18)
InChIKeyODKRUKUQXZKEJZ-UHFFFAOYSA-N
XLogP1.81
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.81
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-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide
CID 113392309
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 116813202
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
N-(2-hydroxy-5-methylsulfonylphenyl)-4-(propan-2-ylamino)butanamide
CID 81422923
N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
CID 62997361
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide
CID 114253600
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
CID 114912385

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide (CID 113392289) is N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide is Cc1ccc(O)c(NC(=O)CCCNC(C)C)n1.
What is the InChIKey of N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is ODKRUKUQXZKEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)14-8-4-5-12(18)16-13-11(17)7-6-10(3)15-13/h6-7,9,14,17H,4-5,8H2,1-3H3,(H,15,16,18).
What are the key properties of N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-6-methyl-2-pyridinyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 113392289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).