propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate

C18H19N3O4 — CID 3235826

IUPACpropan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1
InChIInChI=1S/C18H19N3O4/c1-11(2)25-18(24)16-6-4-5-15(21-16)17(23)20-14-9-7-13(8-10-14)19-12(3)22/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyLMSZWITZGJGUDM-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.86
Rot. Bonds5

About propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate

propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 3235826) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID3235826
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namepropan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1
InChIInChI=1S/C18H19N3O4/c1-11(2)25-18(24)16-6-4-5-15(21-16)17(23)20-14-9-7-13(8-10-14)19-12(3)22/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyLMSZWITZGJGUDM-UHFFFAOYSA-N
XLogP2.86
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Methyl 6-methylpyridine-2-carboxylate
CID 73022
Ethyl 6-methylpyridine-2-carboxylate
CID 564597
Isopropyl 6-[(2-bromo-4-methylanilino)carbonyl]-2-pyridinecarboxylate
CID 15998888
6-(Ethoxycarbonyl)picolinic acid
CID 3594444
6-(Isopropoxycarbonyl)-2-pyridinecarboxylic acid
CID 3241921

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate (CID 3235826) is propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate is CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1.
What is the InChIKey of propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is LMSZWITZGJGUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(2)25-18(24)16-6-4-5-15(21-16)17(23)20-14-9-7-13(8-10-14)19-12(3)22/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate?
propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3235826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).