5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid

C11H16N4O3 — CID 114047100

IUPAC5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
SMILESCC(C)N(CC(N)=O)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6(2)15(5-9(13)16)10-8(11(17)18)3-7(12)4-14-10/h3-4,6H,5,12H2,1-2H3,(H2,13,16)(H,17,18)
InChIKeyOFSBDILJYJCRCI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.06
Rot. Bonds5

About 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid

5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid (PubChem CID 114047100) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
PubChem CID114047100
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
SMILESCC(C)N(CC(N)=O)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6(2)15(5-9(13)16)10-8(11(17)18)3-7(12)4-14-10/h3-4,6H,5,12H2,1-2H3,(H2,13,16)(H,17,18)
InChIKeyOFSBDILJYJCRCI-UHFFFAOYSA-N
XLogP0.06
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989077
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011059
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
5-amino-2-[(2-amino-2-oxoethyl)-ethylamino]pyridine-3-carboxamide
CID 103101079
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
CID 80630219
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
CID 114047069
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
4-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 81244428
5-amino-2-ethylpyridine-3-carboxylic acid
CID 84652342
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899
5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid
CID 165482356
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
CID 80632065

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid (CID 114047100) is 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid is CC(C)N(CC(N)=O)c1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid?
The InChIKey is OFSBDILJYJCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6(2)15(5-9(13)16)10-8(11(17)18)3-7(12)4-14-10/h3-4,6H,5,12H2,1-2H3,(H2,13,16)(H,17,18).
What are the key properties of 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid?
5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114047100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).