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

C12H10Cl2N4O — CID 114917203

IUPAC2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Cl)ncc2Cl)n1
InChIInChI=1S/C12H10Cl2N4O/c1-6-3-7(2)17-12(16-6)18-11(19)8-4-10(14)15-5-9(8)13/h3-5H,1-2H3,(H,16,17,18,19)
InChIKeyKTAPNSRHXNRXQV-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.05
Rot. Bonds2

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

2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide (PubChem CID 114917203) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
PubChem CID114917203
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Cl)ncc2Cl)n1
InChIInChI=1S/C12H10Cl2N4O/c1-6-3-7(2)17-12(16-6)18-11(19)8-4-10(14)15-5-9(8)13/h3-5H,1-2H3,(H,16,17,18,19)
InChIKeyKTAPNSRHXNRXQV-UHFFFAOYSA-N
XLogP3.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.05
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-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 114917035
2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
CID 114074081
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 104986154
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide (CID 114917203) is 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(Cl)ncc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
The InChIKey is KTAPNSRHXNRXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c1-6-3-7(2)17-12(16-6)18-11(19)8-4-10(14)15-5-9(8)13/h3-5H,1-2H3,(H,16,17,18,19).
What are the key properties of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 3.05, 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-dimethylpyrimidin-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114917203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).