5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid

C13H13N5O4 — CID 159374839

IUPAC5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILES[H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H13N5O4/c14-10-4-9(19)7(12(15)18-10)3-11(20)17-6-1-2-8(13(21)22)16-5-6/h1-2,5,19H,3-4H2,(H,17,20)(H,21,22)(H3,14,15,18)
InChIKeyLJUBBGHOKDDAOG-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.66
Rot. Bonds4

About 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid

5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 159374839) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID159374839
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILES[H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H13N5O4/c14-10-4-9(19)7(12(15)18-10)3-11(20)17-6-1-2-8(13(21)22)16-5-6/h1-2,5,19H,3-4H2,(H,17,20)(H,21,22)(H3,14,15,18)
InChIKeyLJUBBGHOKDDAOG-UHFFFAOYSA-N
XLogP0.66
TPSA161.75 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylic acid
CID 160780812
(2S)-2-[[5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-methylpyridine-2-carbonyl]amino]pentanedioic acid
CID 157425771
(2S)-2-[[5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-(trifluoromethyl)pyridine-2-carbonyl]amino]pentanedioic acid
CID 158396245
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 115295266
5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid
CID 115460248
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 159374839) is 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid is [H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is LJUBBGHOKDDAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c14-10-4-9(19)7(12(15)18-10)3-11(20)17-6-1-2-8(13(21)22)16-5-6/h1-2,5,19H,3-4H2,(H,17,20)(H,21,22)(H3,14,15,18).
What are the key properties of 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid?
5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 159374839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).