ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate

C20H24N2O4 — CID 55888060

IUPACethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2OCC(C)C)nc1C
InChIInChI=1S/C20H24N2O4/c1-5-25-20(24)15-10-11-17(21-14(15)4)19(23)22-16-8-6-7-9-18(16)26-12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,22,23)
InChIKeyKKIXOPHXLSRJCH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.85
Rot. Bonds7

About ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate

ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 55888060) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID55888060
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2OCC(C)C)nc1C
InChIInChI=1S/C20H24N2O4/c1-5-25-20(24)15-10-11-17(21-14(15)4)19(23)22-16-8-6-7-9-18(16)26-12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,22,23)
InChIKeyKKIXOPHXLSRJCH-UHFFFAOYSA-N
XLogP3.85
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55675187
ethyl 6-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55889019
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120621264
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate (CID 55888060) is ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccccc2OCC(C)C)nc1C.
What is the InChIKey of ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is KKIXOPHXLSRJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-25-20(24)15-10-11-17(21-14(15)4)19(23)22-16-8-6-7-9-18(16)26-12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,22,23).
What are the key properties of ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate?
ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 55888060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).