1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid

C12H16N2O2 — CID 61290842

IUPAC1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccncc2)CCCCC1
InChIInChI=1S/C12H16N2O2/c15-11(16)12(6-2-1-3-7-12)14-10-4-8-13-9-5-10/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyIINSVYSLFHSRHM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.28
Rot. Bonds3

About 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid

1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 61290842) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
PubChem CID61290842
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccncc2)CCCCC1
InChIInChI=1S/C12H16N2O2/c15-11(16)12(6-2-1-3-7-12)14-10-4-8-13-9-5-10/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,16)
InChIKeyIINSVYSLFHSRHM-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylanilino)cyclohexane-1-carboxylic acid
CID 71564845
1-(pyrimidin-2-ylamino)cycloheptane-1-carboxylic acid
CID 61291427
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 55155310
1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 61289525
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
3-anilinopiperidine-3-carboxylic acid
CID 131691987
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-(3-fluoro-4-methylanilino)cyclopentane-1-carboxylic acid
CID 114990350
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid (CID 61290842) is 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2ccncc2)CCCCC1.
What is the InChIKey of 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IINSVYSLFHSRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(16)12(6-2-1-3-7-12)14-10-4-8-13-9-5-10/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid?
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).