5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid

C11H14N4O3 — CID 114047149

IUPAC5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESNc1cnc(NC2CCCNC2=O)c(C(=O)O)c1
InChIInChI=1S/C11H14N4O3/c12-6-4-7(11(17)18)9(14-5-6)15-8-2-1-3-13-10(8)16/h4-5,8H,1-3,12H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyNUIDDNHSEIDMHZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.05
Rot. Bonds3

About 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid

5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114047149) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114047149
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESNc1cnc(NC2CCCNC2=O)c(C(=O)O)c1
InChIInChI=1S/C11H14N4O3/c12-6-4-7(11(17)18)9(14-5-6)15-8-2-1-3-13-10(8)16/h4-5,8H,1-3,12H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyNUIDDNHSEIDMHZ-UHFFFAOYSA-N
XLogP0.05
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114047011
3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
CID 103582487
5-amino-2-[(4-methylsulfanylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114124374
ethyl 5-amino-3-chloro-2-[(2-oxopiperidin-3-yl)amino]benzoate
CID 107195593
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
CID 63873802
5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 103471557
3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
CID 80908631
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one
CID 106747635
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 62093647
6-methyl-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbothioamide
CID 62093480

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid (CID 114047149) is 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid is Nc1cnc(NC2CCCNC2=O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is NUIDDNHSEIDMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-6-4-7(11(17)18)9(14-5-6)15-8-2-1-3-13-10(8)16/h4-5,8H,1-3,12H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114047149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).