2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate

C14H21N3O4 — CID 123701811

IUPAC2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCNC(=O)c1ccc(CO)nc1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)17-13(20)21-7-6-15-12(19)10-4-5-11(9-18)16-8-10/h4-5,8,18H,6-7,9H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyAKNCSBXJZGFDTQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.83
Rot. Bonds5

About 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate

2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate (PubChem CID 123701811) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate
PubChem CID123701811
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCNC(=O)c1ccc(CO)nc1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)17-13(20)21-7-6-15-12(19)10-4-5-11(9-18)16-8-10/h4-5,8,18H,6-7,9H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyAKNCSBXJZGFDTQ-UHFFFAOYSA-N
XLogP0.83
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate (CID 123701811) is 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCNC(=O)c1ccc(CO)nc1.
What is the InChIKey of 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate?
The InChIKey is AKNCSBXJZGFDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)17-13(20)21-7-6-15-12(19)10-4-5-11(9-18)16-8-10/h4-5,8,18H,6-7,9H2,1-3H3,(H,15,19)(H,17,20).
What are the key properties of 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate?
2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate has a molecular weight of 295.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)pyridine-3-carbonyl]amino]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 123701811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).