3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

C13H18N4O3 — CID 106020866

IUPAC3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H18N4O3/c1-17-7-3-4-9(17)8-15-13(20)16-10-5-2-6-14-11(10)12(18)19/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyNAQBZBNWGAZIFB-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.00
Rot. Bonds4

About 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (PubChem CID 106020866) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
PubChem CID106020866
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H18N4O3/c1-17-7-3-4-9(17)8-15-13(20)16-10-5-2-6-14-11(10)12(18)19/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyNAQBZBNWGAZIFB-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

3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106022139
3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 107414579
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743679
5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020904
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
3-methyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]benzoic acid
CID 106021097
3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743602
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (CID 106020866) is 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is CN1CCCC1CNC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is NAQBZBNWGAZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-17-7-3-4-9(17)8-15-13(20)16-10-5-2-6-14-11(10)12(18)19/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
3-[(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 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106020866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).