tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate

C13H19N3O4 — CID 178125649

IUPACtert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
SMILESCNC(=O)c1cc(OC)c(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)20-12(18)16-9-7-15-8(11(17)14-4)6-10(9)19-5/h6-7H,1-5H3,(H,14,17)(H,16,18)
InChIKeyVVIMLSCNIVNLHU-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.80
Rot. Bonds3

About tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate

tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate (PubChem CID 178125649) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
PubChem CID178125649
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nametert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
SMILESCNC(=O)c1cc(OC)c(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)20-12(18)16-9-7-15-8(11(17)14-4)6-10(9)19-5/h6-7H,1-5H3,(H,14,17)(H,16,18)
InChIKeyVVIMLSCNIVNLHU-UHFFFAOYSA-N
XLogP1.80
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-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

2,4-dimethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 45356710
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
[5-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 123134912
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate
CID 155114586
tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
CID 170730393
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
tert-butyl N-[2-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19876877
tert-butyl N-[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamate
CID 118072382

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate (CID 178125649) is tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate is CNC(=O)c1cc(OC)c(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate?
The InChIKey is VVIMLSCNIVNLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,3)20-12(18)16-9-7-15-8(11(17)14-4)6-10(9)19-5/h6-7H,1-5H3,(H,14,17)(H,16,18).
What are the key properties of tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate?
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate has a molecular weight of 281.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 178125649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).