3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide

C9H6Cl2N4O2 — CID 68843100

IUPAC3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1c(Cl)c[nH]c(=O)c1Cl
InChIInChI=1S/C9H6Cl2N4O2/c10-4-3-12-9(17)7(11)6(4)8(16)14-5-1-2-13-15-5/h1-3H,(H,12,17)(H2,13,14,15,16)
InChIKeyPXJOJZARAJNUSA-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.66
Rot. Bonds2

About 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide

3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide (PubChem CID 68843100) has the molecular formula C9H6Cl2N4O2 and a molecular weight of 273.08 g/mol. Its IUPAC name is 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide
PubChem CID68843100
Molecular FormulaC9H6Cl2N4O2
Molecular Weight273.08 g/mol
Exact Mass271.99
IUPAC Name3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1c(Cl)c[nH]c(=O)c1Cl
InChIInChI=1S/C9H6Cl2N4O2/c10-4-3-12-9(17)7(11)6(4)8(16)14-5-1-2-13-15-5/h1-3H,(H,12,17)(H2,13,14,15,16)
InChIKeyPXJOJZARAJNUSA-UHFFFAOYSA-N
XLogP1.66
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide (CID 68843100) is 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide is O=C(Nc1ccn[nH]1)c1c(Cl)c[nH]c(=O)c1Cl.
What is the InChIKey of 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide?
The InChIKey is PXJOJZARAJNUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O2/c10-4-3-12-9(17)7(11)6(4)8(16)14-5-1-2-13-15-5/h1-3H,(H,12,17)(H2,13,14,15,16).
What are the key properties of 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide?
3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide has a molecular weight of 273.08 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 68843100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).