tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate

C13H18N2O4 — CID 129224331

IUPACtert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESCC(=O)c1cnc(CO)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-8(17)9-5-10(11(7-16)14-6-9)15-12(18)19-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,15,18)
InChIKeyAUKIVGXQBQQRFM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate

tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate (PubChem CID 129224331) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
PubChem CID129224331
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nametert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESCC(=O)c1cnc(CO)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-8(17)9-5-10(11(7-16)14-6-9)15-12(18)19-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,15,18)
InChIKeyAUKIVGXQBQQRFM-UHFFFAOYSA-N
XLogP2.12
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142743369
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
CID 117112095
tert-butyl N-[6-chloro-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 131744150
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
CID 171803882
tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
CID 130756012
[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate
CID 155114586
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-[5-(hydroxymethyl)-2,3-dimethylphenyl]carbamate
CID 117115769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate (CID 129224331) is tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate is CC(=O)c1cnc(CO)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate?
The InChIKey is AUKIVGXQBQQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(17)9-5-10(11(7-16)14-6-9)15-12(18)19-13(2,3)4/h5-6,16H,7H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate?
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 129224331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).