6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H19N3O3 — CID 60941713

IUPAC6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN(C)c1ncccc1NC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-18(2)13-12(8-5-9-16-13)17-14(19)10-6-3-4-7-11(10)15(20)21/h3-5,8-11H,6-7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAUTKJBRYOXQVSM-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.75
Rot. Bonds4

About 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 60941713) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID60941713
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN(C)c1ncccc1NC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-18(2)13-12(8-5-9-16-13)17-14(19)10-6-3-4-7-11(10)15(20)21/h3-5,8-11H,6-7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAUTKJBRYOXQVSM-UHFFFAOYSA-N
XLogP1.75
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390595
(1S,6R)-6-[(2-chloro-3-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93174037
(1R,6R)-6-[[2-(dimethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 34355646
(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
(1R,6R)-6-(pyrimidin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 1224876
N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 78982003
6-[(2-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45330903
(1R,6R)-6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 790829
6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2865228
N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43706722
2-[[(1S,6R)-6-carboxycyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 747081
3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
CID 62230948

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 60941713) is 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is CN(C)c1ncccc1NC(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is AUTKJBRYOXQVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18(2)13-12(8-5-9-16-13)17-14(19)10-6-3-4-7-11(10)15(20)21/h3-5,8-11H,6-7H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 60941713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).