4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C16H23N3O3 — CID 122016458

IUPAC4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccnc1CCNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23N3O3/c1-11-3-2-9-17-14(11)8-10-18-16(22)19-13-6-4-12(5-7-13)15(20)21/h2-3,9,12-13H,4-8,10H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyGIPIAULEQSHLKD-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.88
Rot. Bonds5

About 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122016458) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122016458
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccnc1CCNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23N3O3/c1-11-3-2-9-17-14(11)8-10-18-16(22)19-13-6-4-12(5-7-13)15(20)21/h2-3,9,12-13H,4-8,10H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyGIPIAULEQSHLKD-UHFFFAOYSA-N
XLogP1.88
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63309326
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106403707
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
4-[2-(2-nitrophenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003940
4-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000014
4-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005819

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122016458) is 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is Cc1cccnc1CCNC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GIPIAULEQSHLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-3-2-9-17-14(11)8-10-18-16(22)19-13-6-4-12(5-7-13)15(20)21/h2-3,9,12-13H,4-8,10H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122016458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).