5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C14H19N3O3 — CID 81096017

IUPAC5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC1CCCN1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-2-11-4-3-7-17(11)14(20)16-9-10-5-6-12(13(18)19)15-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyCHUWIIXRDDGXPQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.86
Rot. Bonds4

About 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81096017) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81096017
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC1CCCN1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-2-11-4-3-7-17(11)14(20)16-9-10-5-6-12(13(18)19)15-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyCHUWIIXRDDGXPQ-UHFFFAOYSA-N
XLogP1.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 102962931
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
(2R)-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923324
5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095740
5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 106315685
5-[(1,4-diazepane-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81095292

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81096017) is 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid is CCC1CCCN1C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is CHUWIIXRDDGXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-11-4-3-7-17(11)14(20)16-9-10-5-6-12(13(18)19)15-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81096017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).