2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide

C16H20N6O4 — CID 133280156

IUPAC2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C16H20N6O4/c17-15(24)13-9-12(22(25)26)10-18-16(13)20-5-2-11(3-6-20)14-1-4-19-21(14)7-8-23/h1,4,9-11,23H,2-3,5-8H2,(H2,17,24)
InChIKeyNUSBLEJMAPBVIB-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.66
Rot. Bonds6

About 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide

2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide (PubChem CID 133280156) has the molecular formula C16H20N6O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
PubChem CID133280156
Molecular FormulaC16H20N6O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C16H20N6O4/c17-15(24)13-9-12(22(25)26)10-18-16(13)20-5-2-11(3-6-20)14-1-4-19-21(14)7-8-23/h1,4,9-11,23H,2-3,5-8H2,(H2,17,24)
InChIKeyNUSBLEJMAPBVIB-UHFFFAOYSA-N
XLogP0.66
TPSA140.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133279381
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682
5-nitro-2-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133326344
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-nitropyridine-3-carboxamide
CID 133344317
2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133278490
1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 99793887
2-[2-(furan-2-yl)morpholin-4-yl]-5-nitropyridine-3-carboxamide
CID 133347183

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide (CID 133280156) is 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is NUSBLEJMAPBVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4/c17-15(24)13-9-12(22(25)26)10-18-16(13)20-5-2-11(3-6-20)14-1-4-19-21(14)7-8-23/h1,4,9-11,23H,2-3,5-8H2,(H2,17,24).
What are the key properties of 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133280156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).