4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid

C14H18N2O3 — CID 62689674

IUPAC4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c17-13(8-10-2-1-7-15-9-10)16-12-5-3-11(4-6-12)14(18)19/h1-2,7,9,11-12H,3-6,8H2,(H,16,17)(H,18,19)
InChIKeyREEBYYYGUQMOCO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds4

About 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid

4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 62689674) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID62689674
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c17-13(8-10-2-1-7-15-9-10)16-12-5-3-11(4-6-12)14(18)19/h1-2,7,9,11-12H,3-6,8H2,(H,16,17)(H,18,19)
InChIKeyREEBYYYGUQMOCO-UHFFFAOYSA-N
XLogP1.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
N-[4-(2-hydroxyethyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 116817232
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
N-(4-ethyl-4-methylcyclohexyl)-2-pyridin-3-ylacetamide
CID 130233519
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
2-pyridin-3-yl-N-(4-pyridin-2-yloxycyclohexyl)acetamide
CID 91625997
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-cyclopropyl-2-phenylacetamide
CID 5175687

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid (CID 62689674) is 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid is O=C(Cc1cccnc1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is REEBYYYGUQMOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(8-10-2-1-7-15-9-10)16-12-5-3-11(4-6-12)14(18)19/h1-2,7,9,11-12H,3-6,8H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62689674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).