6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid

C13H18N4O4 — CID 114403758

IUPAC6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid
SMILESCCN(c1nc(C(=O)O)ccc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C13H18N4O4/c1-2-16(9-5-7-14-8-6-9)12-11(17(20)21)4-3-10(15-12)13(18)19/h3-4,9,14H,2,5-8H2,1H3,(H,18,19)
InChIKeySOJZUSFHLUDYPW-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.27
Rot. Bonds5

About 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid

6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid (PubChem CID 114403758) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid
PubChem CID114403758
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid
SMILESCCN(c1nc(C(=O)O)ccc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C13H18N4O4/c1-2-16(9-5-7-14-8-6-9)12-11(17(20)21)4-3-10(15-12)13(18)19/h3-4,9,14H,2,5-8H2,1H3,(H,18,19)
InChIKeySOJZUSFHLUDYPW-UHFFFAOYSA-N
XLogP1.27
TPSA108.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
2-oxo-1H,2H,3H,4H-pyrido(2,3-b)pyrazine-6-carboxylic acid hydrochloride
CID 165805171
Methyl 6-[(1-fluorocyclopropyl)methylamino]-5-nitropyridine-2-carboxylate
CID 156900077
6-(2-Methylhept-6-en-3-ylamino)-3-nitro-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 163377040
6-(4,4-Difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid
CID 170178893
Ethyl 6-[[1-(fluoromethyl)cyclopropyl]methylamino]-5-nitropyridine-2-carboxylate
CID 171616398
5-Amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 176057500
6-(Benzylamino)-5-nitropyridine-2-carboxylic acid
CID 114403420
6-[(3,3-Difluoro-2-hydroxypropyl)amino]-5-nitropyridine-2-carboxylic acid
CID 105648908
Methyl 6-[(3,3-difluoro-2-hydroxypropyl)amino]-5-nitropyridine-2-carboxylate
CID 105648951
5-Nitro-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylic acid
CID 105648981
Methyl 5-nitro-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 105649027

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid (CID 114403758) is 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid is CCN(c1nc(C(=O)O)ccc1[N+](=O)[O-])C1CCNCC1.
What is the InChIKey of 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid?
The InChIKey is SOJZUSFHLUDYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-16(9-5-7-14-8-6-9)12-11(17(20)21)4-3-10(15-12)13(18)19/h3-4,9,14H,2,5-8H2,1H3,(H,18,19).
What are the key properties of 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid?
6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).