6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide

C13H11Cl2N3O — CID 45487830

IUPAC6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H11Cl2N3O/c14-10-3-1-8(11(15)5-10)6-18-13(19)9-2-4-12(16)17-7-9/h1-5,7H,6H2,(H2,16,17)(H,18,19)
InChIKeyPWGDOYQXBPVPGB-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.90
Rot. Bonds3

About 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide

6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 45487830) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide
PubChem CID45487830
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H11Cl2N3O/c14-10-3-1-8(11(15)5-10)6-18-13(19)9-2-4-12(16)17-7-9/h1-5,7H,6H2,(H2,16,17)(H,18,19)
InChIKeyPWGDOYQXBPVPGB-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide (CID 45487830) is 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PWGDOYQXBPVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-10-3-1-8(11(15)5-10)6-18-13(19)9-2-4-12(16)17-7-9/h1-5,7H,6H2,(H2,16,17)(H,18,19).
What are the key properties of 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide?
6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2,4-dichlorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 45487830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).