[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate

C18H22N4O3 — CID 11393718

IUPAC[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(NC(=O)NC(C)(C)C)cn1)c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-18(2,3)21-16(23)20-13-10-11-15(19-12-13)25-17(24)22(4)14-8-6-5-7-9-14/h5-12H,1-4H3,(H2,20,21,23)
InChIKeyPOYAQTDYWGUSFR-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.64
Rot. Bonds3

About [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate

[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate (PubChem CID 11393718) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate
PubChem CID11393718
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(NC(=O)NC(C)(C)C)cn1)c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-18(2,3)21-16(23)20-13-10-11-15(19-12-13)25-17(24)22(4)14-8-6-5-7-9-14/h5-12H,1-4H3,(H2,20,21,23)
InChIKeyPOYAQTDYWGUSFR-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate 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

[5-[(2-methoxybenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11474370
[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11316000
[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11247830
[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 142667849
(5-acetamido-2-pyridinyl) hydrogen carbonate
CID 91622867
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507
[5-(5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11439286
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
1,1-dimethyl-3-[6-(3-phenylpropoxy)-3-pyridinyl]urea
CID 13023118
(4,6-dimethyl-2-pyridinyl) N-methyl-N-phenylcarbamate
CID 142667852
2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340396

Frequently Asked Questions

What is the IUPAC name of [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate (CID 11393718) is [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(NC(=O)NC(C)(C)C)cn1)c1ccccc1.
What is the InChIKey of [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate?
The InChIKey is POYAQTDYWGUSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(2,3)21-16(23)20-13-10-11-15(19-12-13)25-17(24)22(4)14-8-6-5-7-9-14/h5-12H,1-4H3,(H2,20,21,23).
What are the key properties of [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate?
[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate has a molecular weight of 342.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 11393718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).