5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid

C13H17N3O3 — CID 60725088

IUPAC5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCCN1CCCC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c17-12(14-5-8-16-6-1-2-7-16)10-3-4-11(13(18)19)15-9-10/h3-4,9H,1-2,5-8H2,(H,14,17)(H,18,19)
InChIKeyNUGGXFNUTQEEHN-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.61
Rot. Bonds5

About 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid

5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 60725088) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID60725088
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCCN1CCCC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c17-12(14-5-8-16-6-1-2-7-16)10-3-4-11(13(18)19)15-9-10/h3-4,9H,1-2,5-8H2,(H,14,17)(H,18,19)
InChIKeyNUGGXFNUTQEEHN-UHFFFAOYSA-N
XLogP0.61
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
6-(4-methyl-1,3-thiazol-5-yl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 110111087
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid (CID 60725088) is 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid is O=C(NCCN1CCCC1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is NUGGXFNUTQEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(14-5-8-16-6-1-2-7-16)10-3-4-11(13(18)19)15-9-10/h3-4,9H,1-2,5-8H2,(H,14,17)(H,18,19).
What are the key properties of 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid?
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 60725088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).