1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid

C13H17N3O3 — CID 63032016

IUPAC1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)c1cc(N2CCC(C(=O)O)C2)ccn1
InChIInChI=1S/C13H17N3O3/c1-2-14-12(17)11-7-10(3-5-15-11)16-6-4-9(8-16)13(18)19/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,17)(H,18,19)
InChIKeyFUJGRTVNCSLZFO-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.74
Rot. Bonds4

About 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid

1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032016) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
PubChem CID63032016
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)c1cc(N2CCC(C(=O)O)C2)ccn1
InChIInChI=1S/C13H17N3O3/c1-2-14-12(17)11-7-10(3-5-15-11)16-6-4-9(8-16)13(18)19/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,17)(H,18,19)
InChIKeyFUJGRTVNCSLZFO-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 97028948
4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid
CID 82901293
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid (CID 63032016) is 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid is CCNC(=O)c1cc(N2CCC(C(=O)O)C2)ccn1.
What is the InChIKey of 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FUJGRTVNCSLZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-14-12(17)11-7-10(3-5-15-11)16-6-4-9(8-16)13(18)19/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid?
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).