methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate

C16H16N2O5 — CID 46394490

IUPACmethyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C16H16N2O5/c1-21-10-7-8-14(22-2)13(9-10)18-15(19)11-5-4-6-12(17-11)16(20)23-3/h4-9H,1-3H3,(H,18,19)
InChIKeyRYNOXBCLVOATCC-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.14
Rot. Bonds5

About methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 46394490) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID46394490
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Namemethyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C16H16N2O5/c1-21-10-7-8-14(22-2)13(9-10)18-15(19)11-5-4-6-12(17-11)16(20)23-3/h4-9H,1-3H3,(H,18,19)
InChIKeyRYNOXBCLVOATCC-UHFFFAOYSA-N
XLogP2.14
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100075
6-amino-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62241119
6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110860509
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
N-(2,5-dimethoxyphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099666

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate (CID 46394490) is methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is RYNOXBCLVOATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-21-10-7-8-14(22-2)13(9-10)18-15(19)11-5-4-6-12(17-11)16(20)23-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 46394490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).