ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate

C17H21N3O2 — CID 113032674

IUPACethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2c(C)cccc2CC)cn1
InChIInChI=1S/C17H21N3O2/c1-4-13-8-6-7-12(3)16(13)19-14-9-10-15(18-11-14)20-17(21)22-5-2/h6-11,19H,4-5H2,1-3H3,(H,18,20,21)
InChIKeyWEDRSMCYGBYVPS-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.26
Rot. Bonds5

About ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate

ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate (PubChem CID 113032674) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
PubChem CID113032674
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nameethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2c(C)cccc2CC)cn1
InChIInChI=1S/C17H21N3O2/c1-4-13-8-6-7-12(3)16(13)19-14-9-10-15(18-11-14)20-17(21)22-5-2/h6-11,19H,4-5H2,1-3H3,(H,18,20,21)
InChIKeyWEDRSMCYGBYVPS-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032663
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
CID 113017656
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
N-(4-acetamidophenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198611
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate (CID 113032674) is ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2c(C)cccc2CC)cn1.
What is the InChIKey of ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate?
The InChIKey is WEDRSMCYGBYVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-13-8-6-7-12(3)16(13)19-14-9-10-15(18-11-14)20-17(21)22-5-2/h6-11,19H,4-5H2,1-3H3,(H,18,20,21).
What are the key properties of ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate?
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113032674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).