4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 61196946

IUPAC4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c1-10(12-3-2-8-16-9-12)17-15(21)18-13-6-4-11(5-7-13)14(19)20/h2-3,8-11,13H,4-7H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyVNGIFSDVONQTDC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds4

About 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61196946) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61196946
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c1-10(12-3-2-8-16-9-12)17-15(21)18-13-6-4-11(5-7-13)14(19)20/h2-3,8-11,13H,4-7H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyVNGIFSDVONQTDC-UHFFFAOYSA-N
XLogP2.09
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003208
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122015410
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61196946) is 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is CC(NC(=O)NC1CCC(C(=O)O)CC1)c1cccnc1.
What is the InChIKey of 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VNGIFSDVONQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(12-3-2-8-16-9-12)17-15(21)18-13-6-4-11(5-7-13)14(19)20/h2-3,8-11,13H,4-7H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61196946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).