5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid

C12H15N3O4 — CID 115295266

IUPAC5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESNC1(C(=O)Nc2ccc(C(=O)O)nc2)CCOCC1
InChIInChI=1S/C12H15N3O4/c13-12(3-5-19-6-4-12)11(18)15-8-1-2-9(10(16)17)14-7-8/h1-2,7H,3-6,13H2,(H,15,18)(H,16,17)
InChIKeyJOODPKPNJUZWDB-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.23
Rot. Bonds3

About 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid

5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 115295266) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID115295266
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESNC1(C(=O)Nc2ccc(C(=O)O)nc2)CCOCC1
InChIInChI=1S/C12H15N3O4/c13-12(3-5-19-6-4-12)11(18)15-8-1-2-9(10(16)17)14-7-8/h1-2,7H,3-6,13H2,(H,15,18)(H,16,17)
InChIKeyJOODPKPNJUZWDB-UHFFFAOYSA-N
XLogP0.23
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(aminomethyl)oxane-4-carbonyl]amino]pyridine-2-carboxylic acid
CID 115439810
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 115293891
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide
CID 82817640
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
5-acetamidopyridine-2-carboxylic acid
CID 5278292
4-amino-N-pyrimidin-2-yloxane-4-carboxamide
CID 115293590
1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
1-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 81178954
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid (CID 115295266) is 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid is NC1(C(=O)Nc2ccc(C(=O)O)nc2)CCOCC1.
What is the InChIKey of 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is JOODPKPNJUZWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-12(3-5-19-6-4-12)11(18)15-8-1-2-9(10(16)17)14-7-8/h1-2,7H,3-6,13H2,(H,15,18)(H,16,17).
What are the key properties of 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid?
5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115295266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).