2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid

C14H18N2O3 — CID 115150952

IUPAC2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C14H18N2O3/c17-13(18)9-10-1-3-11(4-2-10)14(19)16-12-5-7-15-8-6-12/h5-8,10-11H,1-4,9H2,(H,17,18)(H,15,16,19)
InChIKeyGEGHRFGDNJHNSX-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid

2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid (PubChem CID 115150952) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
PubChem CID115150952
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C14H18N2O3/c17-13(18)9-10-1-3-11(4-2-10)14(19)16-12-5-7-15-8-6-12/h5-8,10-11H,1-4,9H2,(H,17,18)(H,15,16,19)
InChIKeyGEGHRFGDNJHNSX-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid
CID 115150948
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 139767867
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid
CID 19068105
4-(2-oxo-2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 142888407
4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 115151266
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid (CID 115150952) is 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid is O=C(O)CC1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid?
The InChIKey is GEGHRFGDNJHNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)9-10-1-3-11(4-2-10)14(19)16-12-5-7-15-8-6-12/h5-8,10-11H,1-4,9H2,(H,17,18)(H,15,16,19).
What are the key properties of 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid?
2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid is sourced from PubChem (CID 115150952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).