N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide

C13H9Cl2N3O2 — CID 7760364

IUPACN-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H9Cl2N3O2/c14-10-5-8(6-17-11(10)15)13(20)18-9-3-1-7(2-4-9)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyCOGOOOKHTNCZDU-UHFFFAOYSA-N
MW310.14 g/mol
LogP2.74
Rot. Bonds3

About N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide

N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 7760364) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
PubChem CID7760364
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC NameN-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H9Cl2N3O2/c14-10-5-8(6-17-11(10)15)13(20)18-9-3-1-7(2-4-9)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyCOGOOOKHTNCZDU-UHFFFAOYSA-N
XLogP2.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
CID 2095074
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 60609001
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
5-N-(3,4-dichlorophenyl)pyridine-2,5-dicarboxamide
CID 47460215

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide (CID 7760364) is N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is COGOOOKHTNCZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c14-10-5-8(6-17-11(10)15)13(20)18-9-3-1-7(2-4-9)12(16)19/h1-6H,(H2,16,19)(H,18,20).
What are the key properties of N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide?
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide has a molecular weight of 310.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 7760364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).