2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide

C10H14N2O4 — CID 70367206

IUPAC2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide
SMILESCNC(=O)C(O)(c1ccccn1)C(O)CO
InChIInChI=1S/C10H14N2O4/c1-11-9(15)10(16,8(14)6-13)7-4-2-3-5-12-7/h2-5,8,13-14,16H,6H2,1H3,(H,11,15)
InChIKeyKDVMQIAOHIIAAH-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.63
Rot. Bonds4

About 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide

2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide (PubChem CID 70367206) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide
PubChem CID70367206
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide
SMILESCNC(=O)C(O)(c1ccccn1)C(O)CO
InChIInChI=1S/C10H14N2O4/c1-11-9(15)10(16,8(14)6-13)7-4-2-3-5-12-7/h2-5,8,13-14,16H,6H2,1H3,(H,11,15)
InChIKeyKDVMQIAOHIIAAH-UHFFFAOYSA-N
XLogP-1.63
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide?
The IUPAC name of 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide (CID 70367206) is 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide.
What is the SMILES notation for 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide?
The canonical SMILES for 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide is CNC(=O)C(O)(c1ccccn1)C(O)CO.
What is the InChIKey of 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide?
The InChIKey is KDVMQIAOHIIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-9(15)10(16,8(14)6-13)7-4-2-3-5-12-7/h2-5,8,13-14,16H,6H2,1H3,(H,11,15).
What are the key properties of 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide?
2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide has a molecular weight of 226.23 g/mol, XLogP of -1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-N-methyl-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 70367206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).