5-amino-2-(4-chloroanilino)pyridine-3-carboxamide

C12H11ClN4O — CID 61358006

IUPAC5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O/c13-7-1-3-9(4-2-7)17-12-10(11(15)18)5-8(14)6-16-12/h1-6H,14H2,(H2,15,18)(H,16,17)
InChIKeyPLNYENYAHZEYTC-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.16
Rot. Bonds3

About 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide

5-amino-2-(4-chloroanilino)pyridine-3-carboxamide (PubChem CID 61358006) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
PubChem CID61358006
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O/c13-7-1-3-9(4-2-7)17-12-10(11(15)18)5-8(14)6-16-12/h1-6H,14H2,(H2,15,18)(H,16,17)
InChIKeyPLNYENYAHZEYTC-UHFFFAOYSA-N
XLogP2.16
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide (CID 61358006) is 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide?
The InChIKey is PLNYENYAHZEYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-7-1-3-9(4-2-7)17-12-10(11(15)18)5-8(14)6-16-12/h1-6H,14H2,(H2,15,18)(H,16,17).
What are the key properties of 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide?
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 61358006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).