4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C15H21N3O4 — CID 122015410

IUPAC4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H21N3O4/c1-9(11-6-7-16-13(19)8-11)17-15(22)18-12-4-2-10(3-5-12)14(20)21/h6-10,12H,2-5H2,1H3,(H,16,19)(H,20,21)(H2,17,18,22)
InChIKeyMQSFESDIKVPKKP-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.38
Rot. Bonds4

About 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122015410) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122015410
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H21N3O4/c1-9(11-6-7-16-13(19)8-11)17-15(22)18-12-4-2-10(3-5-12)14(20)21/h6-10,12H,2-5H2,1H3,(H,16,19)(H,20,21)(H2,17,18,22)
InChIKeyMQSFESDIKVPKKP-UHFFFAOYSA-N
XLogP1.38
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122011260
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
1-(4-hydroxycyclohexyl)-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050637
4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one
CID 126809577
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylurea
CID 47139460
4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122008720

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122015410) is 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is CC(NC(=O)NC1CCC(C(=O)O)CC1)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MQSFESDIKVPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-9(11-6-7-16-13(19)8-11)17-15(22)18-12-4-2-10(3-5-12)14(20)21/h6-10,12H,2-5H2,1H3,(H,16,19)(H,20,21)(H2,17,18,22).
What are the key properties of 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122015410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).