N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide

C10H6Cl2N4O2 — CID 114074381

IUPACN-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H6Cl2N4O2/c11-8-7(9(12)15-4-14-8)16-10(18)5-1-2-6(17)13-3-5/h1-4H,(H,13,17)(H,16,18)
InChIKeyWSGZQEKOHCQPCP-UHFFFAOYSA-N
MW285.09 g/mol
LogP1.72
Rot. Bonds2

About N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114074381) has the molecular formula C10H6Cl2N4O2 and a molecular weight of 285.09 g/mol. Its IUPAC name is N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114074381
Molecular FormulaC10H6Cl2N4O2
Molecular Weight285.09 g/mol
Exact Mass283.99
IUPAC NameN-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H6Cl2N4O2/c11-8-7(9(12)15-4-14-8)16-10(18)5-1-2-6(17)13-3-5/h1-4H,(H,13,17)(H,16,18)
InChIKeyWSGZQEKOHCQPCP-UHFFFAOYSA-N
XLogP1.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 114074381) is N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1c(Cl)ncnc1Cl)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WSGZQEKOHCQPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O2/c11-8-7(9(12)15-4-14-8)16-10(18)5-1-2-6(17)13-3-5/h1-4H,(H,13,17)(H,16,18).
What are the key properties of N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 285.09 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114074381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).