3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 63044448

IUPAC3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1ccccn1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c19-14(20)11-4-3-6-13(10-11)18-15(21)17-9-7-12-5-1-2-8-16-12/h1-2,5,8,11,13H,3-4,6-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyUZFSAYVLONLDKZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.57
Rot. Bonds5

About 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 63044448) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID63044448
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1ccccn1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c19-14(20)11-4-3-6-13(10-11)18-15(21)17-9-7-12-5-1-2-8-16-12/h1-2,5,8,11,13H,3-4,6-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyUZFSAYVLONLDKZ-UHFFFAOYSA-N
XLogP1.57
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106105963
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
4-(2-pyridin-2-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216900
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
3-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039971
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 63044448) is 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCCc1ccccn1)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is UZFSAYVLONLDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)11-4-3-6-13(10-11)18-15(21)17-9-7-12-5-1-2-8-16-12/h1-2,5,8,11,13H,3-4,6-7,9-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).