1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid

C13H17N3O3 — CID 63147504

IUPAC1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C13H17N3O3/c1-2-13(12(18)19)4-6-16(8-13)9-3-5-15-10(7-9)11(14)17/h3,5,7H,2,4,6,8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyWWWQAJPNHAIOTH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.87
Rot. Bonds4

About 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63147504) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63147504
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C13H17N3O3/c1-2-13(12(18)19)4-6-16(8-13)9-3-5-15-10(7-9)11(14)17/h3,5,7H,2,4,6,8H2,1H3,(H2,14,17)(H,18,19)
InChIKeyWWWQAJPNHAIOTH-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Gaba-picolinoyl-N
CID 1713718
1-(Pyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 16769423
4-(Pyrrolidin-1-yl)picolinamide
CID 55222242
4-amino-N,N-dimethylpyridine-2-carboxamide
CID 43517476
2-(Pyrrolidine-1-carbonyl)pyridin-4-amine hydrochloride
CID 145884697
4-amino-N,N-dimethylpyridine-2-carboxamide hydrochloride
CID 167725414
1:1 Pico:adi
CID 139198135
4-(3-carbamoylpyrrolidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 60289799
4-(dimethylamino)-N-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 86804669
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide
CID 86804796
4-(Methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110203585
4-[[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl-methylamino]pyridine-2-carboxamide
CID 121581753

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 63147504) is 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2ccnc(C(N)=O)c2)C1.
What is the InChIKey of 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is WWWQAJPNHAIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-13(12(18)19)4-6-16(8-13)9-3-5-15-10(7-9)11(14)17/h3,5,7H,2,4,6,8H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).