3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide

C12H10ClN3O — CID 113447561

IUPAC3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O/c13-8-3-1-4-9(7-8)16-12(17)11-10(14)5-2-6-15-11/h1-7H,14H2,(H,16,17)
InChIKeyJPOAMVOESKRGJG-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.57
Rot. Bonds2

About 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide

3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide (PubChem CID 113447561) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide
PubChem CID113447561
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O/c13-8-3-1-4-9(7-8)16-12(17)11-10(14)5-2-6-15-11/h1-7H,14H2,(H,16,17)
InChIKeyJPOAMVOESKRGJG-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide (CID 113447561) is 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide?
The InChIKey is JPOAMVOESKRGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-8-3-1-4-9(7-8)16-12(17)11-10(14)5-2-6-15-11/h1-7H,14H2,(H,16,17).
What are the key properties of 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide?
3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113447561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).