2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid

C8H12N4O2 — CID 55269278

IUPAC2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid
SMILESNCC(N)c1cnc(N)cc1C(=O)O
InChIInChI=1S/C8H12N4O2/c9-2-6(10)5-3-12-7(11)1-4(5)8(13)14/h1,3,6H,2,9-10H2,(H2,11,12)(H,13,14)
InChIKeyQDHRHIUXVMNDKW-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.68
Rot. Bonds3

About 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid

2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid (PubChem CID 55269278) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid
PubChem CID55269278
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid
SMILESNCC(N)c1cnc(N)cc1C(=O)O
InChIInChI=1S/C8H12N4O2/c9-2-6(10)5-3-12-7(11)1-4(5)8(13)14/h1,3,6H,2,9-10H2,(H2,11,12)(H,13,14)
InChIKeyQDHRHIUXVMNDKW-UHFFFAOYSA-N
XLogP-0.68
TPSA128.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S)-1,2-diaminoethyl]benzene-1,3-dicarboxylic acid
CID 66517521
2-[(1R)-1,2-diaminoethyl]-5-methylbenzoic acid
CID 66516475
2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 66516096
2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 53416466
2-amino-5-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 130479598
3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid
CID 55274136
3-(1,2-diaminoethyl)phthalic acid
CID 175050908
2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid
CID 114194989
2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114195177
2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118997560
2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 114195336
2-amino-2-(6-amino-4-methyl-3-pyridinyl)acetic acid
CID 55295400

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid (CID 55269278) is 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid is NCC(N)c1cnc(N)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid?
The InChIKey is QDHRHIUXVMNDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-2-6(10)5-3-12-7(11)1-4(5)8(13)14/h1,3,6H,2,9-10H2,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid?
2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 55269278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).