2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid

C12H18N4O2 — CID 114194871

IUPAC2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCN1CCC(CNc2cnc(N)cc2C(=O)O)C1
InChIInChI=1S/C12H18N4O2/c1-16-3-2-8(7-16)5-14-10-6-15-11(13)4-9(10)12(17)18/h4,6,8,14H,2-3,5,7H2,1H3,(H2,13,15)(H,17,18)
InChIKeyOLVFFIOMXKRPOF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds4

About 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid

2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114194871) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID114194871
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCN1CCC(CNc2cnc(N)cc2C(=O)O)C1
InChIInChI=1S/C12H18N4O2/c1-16-3-2-8(7-16)5-14-10-6-15-11(13)4-9(10)12(17)18/h4,6,8,14H,2-3,5,7H2,1H3,(H2,13,15)(H,17,18)
InChIKeyOLVFFIOMXKRPOF-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide
CID 114195011
4-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]benzoic acid
CID 62710632
2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
CID 114195062
2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 114195473
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114194642
2-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-4-carboxylic acid
CID 114194748
2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 114195336
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
2-bromo-3-fluoro-4-[(1-methylpyrrolidin-3-yl)methylamino]benzoic acid
CID 107539976
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
CID 83265906
2-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114195412
6-[(1-methylpyrrolidin-3-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81437833

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid (CID 114194871) is 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid is CN1CCC(CNc2cnc(N)cc2C(=O)O)C1.
What is the InChIKey of 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is OLVFFIOMXKRPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-3-2-8(7-16)5-14-10-6-15-11(13)4-9(10)12(17)18/h4,6,8,14H,2-3,5,7H2,1H3,(H2,13,15)(H,17,18).
What are the key properties of 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid?
2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114194871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).