4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide

C12H8Cl2FN3O — CID 107578409

IUPAC4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H8Cl2FN3O/c13-8-3-6(4-9(14)11(8)15)18-12(19)7-5-17-2-1-10(7)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyGGKXYIOYWYRUAW-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.36
Rot. Bonds2

About 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide

4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 107578409) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
PubChem CID107578409
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H8Cl2FN3O/c13-8-3-6(4-9(14)11(8)15)18-12(19)7-5-17-2-1-10(7)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyGGKXYIOYWYRUAW-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
CID 107578408
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
CID 105070699
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide (CID 107578409) is 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is GGKXYIOYWYRUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c13-8-3-6(4-9(14)11(8)15)18-12(19)7-5-17-2-1-10(7)16/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 300.12 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107578409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).