3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide

C12H19N3O2 — CID 113392309

IUPAC3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide
SMILESCCNC(C)CC(=O)Nc1nc(C)ccc1O
InChIInChI=1S/C12H19N3O2/c1-4-13-9(3)7-11(17)15-12-10(16)6-5-8(2)14-12/h5-6,9,13,16H,4,7H2,1-3H3,(H,14,15,17)
InChIKeyIZQHMSCWHBFEQW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.42
Rot. Bonds5

About 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide

3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide (PubChem CID 113392309) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide
PubChem CID113392309
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide
SMILESCCNC(C)CC(=O)Nc1nc(C)ccc1O
InChIInChI=1S/C12H19N3O2/c1-4-13-9(3)7-11(17)15-12-10(16)6-5-8(2)14-12/h5-6,9,13,16H,4,7H2,1-3H3,(H,14,15,17)
InChIKeyIZQHMSCWHBFEQW-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide (CID 113392309) is 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide is CCNC(C)CC(=O)Nc1nc(C)ccc1O.
What is the InChIKey of 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide?
The InChIKey is IZQHMSCWHBFEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-13-9(3)7-11(17)15-12-10(16)6-5-8(2)14-12/h5-6,9,13,16H,4,7H2,1-3H3,(H,14,15,17).
What are the key properties of 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide?
3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide has a molecular weight of 237.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-hydroxy-6-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 113392309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).