4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 61204419

IUPAC4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1cccnc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c19-14(20)12-3-5-13(6-4-12)18-15(21)17-9-7-11-2-1-8-16-10-11/h1-2,8,10,12-13H,3-7,9H2,(H,19,20)(H2,17,18,21)
InChIKeyFOEOMRGOWGYGKD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.57
Rot. Bonds5

About 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61204419) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61204419
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1cccnc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c19-14(20)12-3-5-13(6-4-12)18-15(21)17-9-7-11-2-1-8-16-10-11/h1-2,8,10,12-13H,3-7,9H2,(H,19,20)(H2,17,18,21)
InChIKeyFOEOMRGOWGYGKD-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

4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016458
4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216562
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
tert-butyl (3S)-3-(2-pyridin-3-ylethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 96516606
4-[2-(2-nitrophenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003940
4-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005819
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61204419) is 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCCc1cccnc1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FOEOMRGOWGYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)12-3-5-13(6-4-12)18-15(21)17-9-7-11-2-1-8-16-10-11/h1-2,8,10,12-13H,3-7,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-(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 4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61204419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).