2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid

C12H18N4O2 — CID 114195062

IUPAC2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(NCCN2CCCC2)cn1
InChIInChI=1S/C12H18N4O2/c13-11-7-9(12(17)18)10(8-15-11)14-3-6-16-4-1-2-5-16/h7-8,14H,1-6H2,(H2,13,15)(H,17,18)
InChIKeyPLFSXDSNOHPAHV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds5

About 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid

2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid (PubChem CID 114195062) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
PubChem CID114195062
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(NCCN2CCCC2)cn1
InChIInChI=1S/C12H18N4O2/c13-11-7-9(12(17)18)10(8-15-11)14-3-6-16-4-1-2-5-16/h7-8,14H,1-6H2,(H2,13,15)(H,17,18)
InChIKeyPLFSXDSNOHPAHV-UHFFFAOYSA-N
XLogP0.87
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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

2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 114195336
2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114194871
2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 115545405
2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 114195473
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433
4-[2-(azepan-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79834671
2-amino-4-fluoro-5-(2-pyrrolidin-1-ylethylamino)benzamide
CID 62640366
3-amino-2-(2-piperidin-1-ylethylamino)benzoic acid
CID 112578505
2-amino-5-[(2-methylpyrimidin-4-yl)methylamino]pyridine-4-carboxylic acid
CID 114195022
ethyl 5-amino-2-(2-pyrrolidin-1-ylethylamino)benzoate
CID 62642562
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
2-amino-5-chloro-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 114921931

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid (CID 114195062) is 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(NCCN2CCCC2)cn1.
What is the InChIKey of 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid?
The InChIKey is PLFSXDSNOHPAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11-7-9(12(17)18)10(8-15-11)14-3-6-16-4-1-2-5-16/h7-8,14H,1-6H2,(H2,13,15)(H,17,18).
What are the key properties of 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid?
2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114195062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).