[6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate

C9H12N4O3 — CID 134123038

IUPAC[6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Nc1cccc(OC(=O)NC)n1
InChIInChI=1S/C9H12N4O3/c1-10-8(14)13-6-4-3-5-7(12-6)16-9(15)11-2/h3-5H,1-2H3,(H,11,15)(H2,10,12,13,14)
InChIKeyQEFKOTPQFDNAPX-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.55
Rot. Bonds2

About [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate

[6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate (PubChem CID 134123038) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate.

Molecular Properties

Compound Name[6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate
PubChem CID134123038
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name[6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Nc1cccc(OC(=O)NC)n1
InChIInChI=1S/C9H12N4O3/c1-10-8(14)13-6-4-3-5-7(12-6)16-9(15)11-2/h3-5H,1-2H3,(H,11,15)(H2,10,12,13,14)
InChIKeyQEFKOTPQFDNAPX-UHFFFAOYSA-N
XLogP0.55
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6-acetamido-2-pyridinyl) acetate
CID 14208887
1-[(6-chloro-2-pyridinyl)amino]-3-methylurea
CID 901019
(2,3-dimethylquinolin-8-yl) N-methylcarbamate
CID 69053510
naphthalen-1-yl N-methylcarbamate
CID 23447097
benzo[h]quinolin-10-yl N-methylcarbamate
CID 139035586
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606
1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea
CID 167851183
1-(4,4-difluoro-1-methylcyclohexyl)-3-(6-ethoxy-2-pyridinyl)urea
CID 154839017
1-benzothiophen-7-yl N-methylcarbamate
CID 130006120

Frequently Asked Questions

What is the IUPAC name of [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate?
The IUPAC name of [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate (CID 134123038) is [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate.
What is the SMILES notation for [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate?
The canonical SMILES for [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate is CNC(=O)Nc1cccc(OC(=O)NC)n1.
What is the InChIKey of [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate?
The InChIKey is QEFKOTPQFDNAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-10-8(14)13-6-4-3-5-7(12-6)16-9(15)11-2/h3-5H,1-2H3,(H,11,15)(H2,10,12,13,14).
What are the key properties of [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate?
[6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate has a molecular weight of 224.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate is sourced from PubChem (CID 134123038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).