5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid

C18H23N3O4 — CID 119163910

IUPAC5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)C1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H23N3O4/c22-16(13-6-7-15(18(24)25)19-10-13)20-14-8-9-21(11-14)17(23)12-4-2-1-3-5-12/h6-7,10,12,14H,1-5,8-9,11H2,(H,20,22)(H,24,25)
InChIKeyHECMVANOEZPWJZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.69
Rot. Bonds4

About 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid

5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119163910) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119163910
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)C1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H23N3O4/c22-16(13-6-7-15(18(24)25)19-10-13)20-14-8-9-21(11-14)17(23)12-4-2-1-3-5-12/h6-7,10,12,14H,1-5,8-9,11H2,(H,20,22)(H,24,25)
InChIKeyHECMVANOEZPWJZ-UHFFFAOYSA-N
XLogP1.69
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 126795752
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 120550990
3-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]-5-nitrobenzoic acid
CID 120550986
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 127642059
2-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazine-2,5-dicarboxamide
CID 137336941
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid (CID 119163910) is 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid is O=C(NC1CCN(C(=O)C2CCCCC2)C1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is HECMVANOEZPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-16(13-6-7-15(18(24)25)19-10-13)20-14-8-9-21(11-14)17(23)12-4-2-1-3-5-12/h6-7,10,12,14H,1-5,8-9,11H2,(H,20,22)(H,24,25).
What are the key properties of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119163910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).