methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate

C16H19N3O2 — CID 114406277

IUPACmethyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
SMILESCCc1ccc(N(C)c2nc(C(=O)OC)ccc2N)cc1
InChIInChI=1S/C16H19N3O2/c1-4-11-5-7-12(8-6-11)19(2)15-13(17)9-10-14(18-15)16(20)21-3/h5-10H,4,17H2,1-3H3
InChIKeyADIOPKPDXCRVEF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.78
Rot. Bonds4

About methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate

methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate (PubChem CID 114406277) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
PubChem CID114406277
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
SMILESCCc1ccc(N(C)c2nc(C(=O)OC)ccc2N)cc1
InChIInChI=1S/C16H19N3O2/c1-4-11-5-7-12(8-6-11)19(2)15-13(17)9-10-14(18-15)16(20)21-3/h5-10H,4,17H2,1-3H3
InChIKeyADIOPKPDXCRVEF-UHFFFAOYSA-N
XLogP2.78
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-{[(4,6-dimethylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 970961
Ethyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 3342377
Ethyl 4-[(6-methylpyridin-2-yl)carbamoylamino]benzoate
CID 6469443
1-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44391977
Ethyl 4-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 6469761
Ethyl 4-((6-methyl-2-morpholinopyrimidin-4-yl)amino)benzoate
CID 659609
Ethyl 4-((3-cyano-4,6-dimethylpyridin-2-yl)amino)benzoate
CID 892134
Methyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 1959712
Methyl 4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 4433660
2,4-Diamino-6-diethylamino-5-(4-carbethoxyphenylazo)pyrimidine
CID 20383
Methyl 5,6-diamino-2-pyridinecarboxylate
CID 12097747
Methyl 6-amino-3-methylpyridine-2-carboxylate
CID 57582322

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate (CID 114406277) is methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate is CCc1ccc(N(C)c2nc(C(=O)OC)ccc2N)cc1.
What is the InChIKey of methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate?
The InChIKey is ADIOPKPDXCRVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-11-5-7-12(8-6-11)19(2)15-13(17)9-10-14(18-15)16(20)21-3/h5-10H,4,17H2,1-3H3.
What are the key properties of methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114406277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).