ethyl N-(4-methyl-2-pyridinyl)carbamate

C9H12N2O2 — CID 3742731

IUPACethyl N-(4-methyl-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)11-8-6-7(2)4-5-10-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyGGWLAMPEROCDKK-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.96
Rot. Bonds2

About ethyl N-(4-methyl-2-pyridinyl)carbamate

ethyl N-(4-methyl-2-pyridinyl)carbamate (PubChem CID 3742731) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl N-(4-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-methyl-2-pyridinyl)carbamate
PubChem CID3742731
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl N-(4-methyl-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C9H12N2O2/c1-3-13-9(12)11-8-6-7(2)4-5-10-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyGGWLAMPEROCDKK-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methylpyridine
CID 1533
2-Acetamidopyridine
CID 72929
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
4-Ethylpyridin-2-amine
CID 118425
2-(Pivaloylamino)pyridine
CID 1051519
2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
CID 609233
Methyl 2-acetamido-3,3,3-trifluoro-2-[(4-methylpyridin-2-yl)amino]propanoate
CID 3598834
N-Pyridin-2-ylcarbamimidic acid
CID 202697
Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 2928555
Methyl 3-[(pyridin-2-yl)amino]propanoate
CID 818199

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methyl-2-pyridinyl)carbamate?
The IUPAC name of ethyl N-(4-methyl-2-pyridinyl)carbamate (CID 3742731) is ethyl N-(4-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(4-methyl-2-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(4-methyl-2-pyridinyl)carbamate is CCOC(=O)Nc1cc(C)ccn1.
What is the InChIKey of ethyl N-(4-methyl-2-pyridinyl)carbamate?
The InChIKey is GGWLAMPEROCDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-13-9(12)11-8-6-7(2)4-5-10-8/h4-6H,3H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl N-(4-methyl-2-pyridinyl)carbamate?
ethyl N-(4-methyl-2-pyridinyl)carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 3742731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).