5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid

C12H16N4O3 — CID 114082438

IUPAC5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1(C(N)=O)CCN(c2nc(C(=O)O)ccc2N)C1
InChIInChI=1S/C12H16N4O3/c1-12(11(14)19)4-5-16(6-12)9-7(13)2-3-8(15-9)10(17)18/h2-3H,4-6,13H2,1H3,(H2,14,19)(H,17,18)
InChIKeyYCSAXOSLUPXPQM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.06
Rot. Bonds3

About 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid

5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 114082438) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID114082438
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1(C(N)=O)CCN(c2nc(C(=O)O)ccc2N)C1
InChIInChI=1S/C12H16N4O3/c1-12(11(14)19)4-5-16(6-12)9-7(13)2-3-8(15-9)10(17)18/h2-3H,4-6,13H2,1H3,(H2,14,19)(H,17,18)
InChIKeyYCSAXOSLUPXPQM-UHFFFAOYSA-N
XLogP0.06
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 114082438) is 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid is CC1(C(N)=O)CCN(c2nc(C(=O)O)ccc2N)C1.
What is the InChIKey of 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is YCSAXOSLUPXPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(11(14)19)4-5-16(6-12)9-7(13)2-3-8(15-9)10(17)18/h2-3H,4-6,13H2,1H3,(H2,14,19)(H,17,18).
What are the key properties of 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114082438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).