N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide

C11H16N2O3 — CID 170829548

IUPACN-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(C)n1
InChIInChI=1S/C11H16N2O3/c1-7-4-3-5-9(13-7)11(16)10(15)6-12-8(2)14/h3-5,10-11,15-16H,6H2,1-2H3,(H,12,14)
InChIKeyUMNRODACLMFNGW-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.08
Rot. Bonds4

About N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide

N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide (PubChem CID 170829548) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide
PubChem CID170829548
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(C)n1
InChIInChI=1S/C11H16N2O3/c1-7-4-3-5-9(13-7)11(16)10(15)6-12-8(2)14/h3-5,10-11,15-16H,6H2,1-2H3,(H,12,14)
InChIKeyUMNRODACLMFNGW-UHFFFAOYSA-N
XLogP-0.08
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide (CID 170829548) is N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide is CC(=O)NCC(O)C(O)c1cccc(C)n1.
What is the InChIKey of N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide?
The InChIKey is UMNRODACLMFNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-4-3-5-9(13-7)11(16)10(15)6-12-8(2)14/h3-5,10-11,15-16H,6H2,1-2H3,(H,12,14).
What are the key properties of N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide?
N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(6-methyl-2-pyridinyl)propyl]acetamide is sourced from PubChem (CID 170829548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).