5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid

C12H18N4O2 — CID 106028495

IUPAC5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H18N4O2/c1-16-6-2-3-8(16)7-14-11-9(13)4-5-10(15-11)12(17)18/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,15)(H,17,18)
InChIKeyVDQXPYDGWBIHRK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds4

About 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid

5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 106028495) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID106028495
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H18N4O2/c1-16-6-2-3-8(16)7-14-11-9(13)4-5-10(15-11)12(17)18/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,15)(H,17,18)
InChIKeyVDQXPYDGWBIHRK-UHFFFAOYSA-N
XLogP0.87
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
CID 114405447
5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114407308
4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106022164
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 112578645
4-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 106029026
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358
6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carbothioamide
CID 106023912
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
2-amino-3-fluoro-6-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106019666
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
CID 114133278

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid (CID 106028495) is 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid is CN1CCCC1CNc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is VDQXPYDGWBIHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-6-2-3-8(16)7-14-11-9(13)4-5-10(15-11)12(17)18/h4-5,8H,2-3,6-7,13H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106028495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).