N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C16H16N6O3 — CID 154852133

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C1NC(=O)C2(CCCC2NC(=O)c2ccc(-c3cn[nH]c3)cn2)N1
InChIInChI=1S/C16H16N6O3/c23-13(11-4-3-9(6-17-11)10-7-18-19-8-10)20-12-2-1-5-16(12)14(24)21-15(25)22-16/h3-4,6-8,12H,1-2,5H2,(H,18,19)(H,20,23)(H2,21,22,24,25)
InChIKeyUXDPSFNGKPADIR-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.33
Rot. Bonds3

About N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 154852133) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID154852133
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C1NC(=O)C2(CCCC2NC(=O)c2ccc(-c3cn[nH]c3)cn2)N1
InChIInChI=1S/C16H16N6O3/c23-13(11-4-3-9(6-17-11)10-7-18-19-8-10)20-12-2-1-5-16(12)14(24)21-15(25)22-16/h3-4,6-8,12H,1-2,5H2,(H,18,19)(H,20,23)(H2,21,22,24,25)
InChIKeyUXDPSFNGKPADIR-UHFFFAOYSA-N
XLogP0.33
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 154852133) is N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is O=C1NC(=O)C2(CCCC2NC(=O)c2ccc(-c3cn[nH]c3)cn2)N1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is UXDPSFNGKPADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-13(11-4-3-9(6-17-11)10-7-18-19-8-10)20-12-2-1-5-16(12)14(24)21-15(25)22-16/h3-4,6-8,12H,1-2,5H2,(H,18,19)(H,20,23)(H2,21,22,24,25).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 154852133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).