3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid

C15H21N3O3 — CID 104743197

IUPAC3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCCN(C(=O)Nc1cccnc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-2-18(11-7-4-3-5-8-11)15(21)17-12-9-6-10-16-13(12)14(19)20/h6,9-11H,2-5,7-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyXKMZTYYOQKNFMH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.97
Rot. Bonds4

About 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743197) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743197
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCCN(C(=O)Nc1cccnc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-2-18(11-7-4-3-5-8-11)15(21)17-12-9-6-10-16-13(12)14(19)20/h6,9-11H,2-5,7-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyXKMZTYYOQKNFMH-UHFFFAOYSA-N
XLogP2.97
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146320
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 104743197) is 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid is CCN(C(=O)Nc1cccnc1C(=O)O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is XKMZTYYOQKNFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-18(11-7-4-3-5-8-11)15(21)17-12-9-6-10-16-13(12)14(19)20/h6,9-11H,2-5,7-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).