2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide

C10H4Cl4N4O — CID 114074081

IUPAC2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H4Cl4N4O/c11-5-2-15-6(12)1-4(5)10(19)18-7-8(13)16-3-17-9(7)14/h1-3H,(H,18,19)
InChIKeyZMKFDQSZFRAPCG-UHFFFAOYSA-N
MW337.98 g/mol
LogP3.74
Rot. Bonds2

About 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide

2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 114074081) has the molecular formula C10H4Cl4N4O and a molecular weight of 337.98 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
PubChem CID114074081
Molecular FormulaC10H4Cl4N4O
Molecular Weight337.98 g/mol
Exact Mass335.91
IUPAC Name2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H4Cl4N4O/c11-5-2-15-6(12)1-4(5)10(19)18-7-8(13)16-3-17-9(7)14/h1-3H,(H,18,19)
InChIKeyZMKFDQSZFRAPCG-UHFFFAOYSA-N
XLogP3.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.98
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 104986154
4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide
CID 114074743
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114917203
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 114917035
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
CID 114917686
N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
CID 102610051

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide (CID 114074081) is 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide is O=C(Nc1c(Cl)ncnc1Cl)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide?
The InChIKey is ZMKFDQSZFRAPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4N4O/c11-5-2-15-6(12)1-4(5)10(19)18-7-8(13)16-3-17-9(7)14/h1-3H,(H,18,19).
What are the key properties of 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide has a molecular weight of 337.98 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114074081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).