6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid

C20H22N4O4 — CID 119180037

IUPAC6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(CN1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1)Nc1ccccc1
InChIInChI=1S/C20H22N4O4/c25-18(21-14-5-2-1-3-6-14)13-24-11-9-15(10-12-24)22-19(26)16-7-4-8-17(23-16)20(27)28/h1-8,15H,9-13H2,(H,21,25)(H,22,26)(H,27,28)
InChIKeyVVGGDHNFPQQMMJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.61
Rot. Bonds6

About 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid

6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119180037) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119180037
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(CN1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1)Nc1ccccc1
InChIInChI=1S/C20H22N4O4/c25-18(21-14-5-2-1-3-6-14)13-24-11-9-15(10-12-24)22-19(26)16-7-4-8-17(23-16)20(27)28/h1-8,15H,9-13H2,(H,21,25)(H,22,26)(H,27,28)
InChIKeyVVGGDHNFPQQMMJ-UHFFFAOYSA-N
XLogP1.61
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(methylsulfinylmethyl)benzamide
CID 16613506
6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 115497212
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid (CID 119180037) is 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid is O=C(CN1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1)Nc1ccccc1.
What is the InChIKey of 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VVGGDHNFPQQMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18(21-14-5-2-1-3-6-14)13-24-11-9-15(10-12-24)22-19(26)16-7-4-8-17(23-16)20(27)28/h1-8,15H,9-13H2,(H,21,25)(H,22,26)(H,27,28).
What are the key properties of 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).