4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid

C13H19N3O2 — CID 106022164

IUPAC4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccnc(NCC2CCCN2C)c1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9-5-6-14-12(11(9)13(17)18)15-8-10-4-3-7-16(10)2/h5-6,10H,3-4,7-8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyFZUWBBMKIXEWIX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid

4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 106022164) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID106022164
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccnc(NCC2CCCN2C)c1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9-5-6-14-12(11(9)13(17)18)15-8-10-4-3-7-16(10)2/h5-6,10H,3-4,7-8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyFZUWBBMKIXEWIX-UHFFFAOYSA-N
XLogP1.59
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 103702752
3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
CID 106025151
3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106022139
5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106028495
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154
5-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 106019702
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
2-amino-3-fluoro-6-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106019666
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinolin-2-amine
CID 106027080
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid (CID 106022164) is 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid is Cc1ccnc(NCC2CCCN2C)c1C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is FZUWBBMKIXEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-6-14-12(11(9)13(17)18)15-8-10-4-3-7-16(10)2/h5-6,10H,3-4,7-8H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106022164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).