5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

C13H18N4O3 — CID 106020904

IUPAC5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N4O3/c1-17-6-2-3-10(17)8-15-13(20)16-9-4-5-11(12(18)19)14-7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyAIFYCPJASOBWRU-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.00
Rot. Bonds4

About 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (PubChem CID 106020904) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
PubChem CID106020904
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N4O3/c1-17-6-2-3-10(17)8-15-13(20)16-9-4-5-11(12(18)19)14-7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyAIFYCPJASOBWRU-UHFFFAOYSA-N
XLogP1.00
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-(4-sulfamoylphenyl)urea
CID 95141083
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020866
3-methyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]benzoic acid
CID 106021097
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
2-[[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106020912
3-bromo-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]benzoic acid
CID 106021324
1-(4-methyl-2-oxochromen-7-yl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 94776898
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 79315921
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
5-acetamidopyridine-2-carboxylic acid
CID 5278292

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (CID 106020904) is 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is CN1CCCC1CNC(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is AIFYCPJASOBWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-17-6-2-3-10(17)8-15-13(20)16-9-4-5-11(12(18)19)14-7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106020904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).