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

C15H21N3O3 — CID 64817875

IUPAC2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1cccnc1)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H21N3O3/c19-14(20)12-5-1-2-6-13(12)18-15(21)17-9-7-11-4-3-8-16-10-11/h3-4,8,10,12-13H,1-2,5-7,9H2,(H,19,20)(H2,17,18,21)
InChIKeyFQHTXOLLAXTSAC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.57
Rot. Bonds5

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

2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64817875) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID64817875
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1cccnc1)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H21N3O3/c19-14(20)12-5-1-2-6-13(12)18-15(21)17-9-7-11-4-3-8-16-10-11/h3-4,8,10,12-13H,1-2,5-7,9H2,(H,19,20)(H2,17,18,21)
InChIKeyFQHTXOLLAXTSAC-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

1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976
2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816532
4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216562
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 64817875) is 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCCc1cccnc1)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FQHTXOLLAXTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)12-5-1-2-6-13(12)18-15(21)17-9-7-11-4-3-8-16-10-11/h3-4,8,10,12-13H,1-2,5-7,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(2-pyridin-3-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 2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).