5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C18H11Cl2F2N3O — CID 55890396

IUPAC5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cnc(Cl)c(Cl)c1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C18H11Cl2F2N3O/c19-14-7-11(9-24-17(14)20)18(26)25(10-13-3-1-2-6-23-13)16-5-4-12(21)8-15(16)22/h1-9H,10H2
InChIKeyDCJCRXXONSVFIP-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.91
Rot. Bonds4

About 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 55890396) has the molecular formula C18H11Cl2F2N3O and a molecular weight of 394.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID55890396
Molecular FormulaC18H11Cl2F2N3O
Molecular Weight394.21 g/mol
Exact Mass393.02
IUPAC Name5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cnc(Cl)c(Cl)c1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C18H11Cl2F2N3O/c19-14-7-11(9-24-17(14)20)18(26)25(10-13-3-1-2-6-23-13)16-5-4-12(21)8-15(16)22/h1-9H,10H2
InChIKeyDCJCRXXONSVFIP-UHFFFAOYSA-N
XLogP4.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889236
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55890519
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 55890007
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 47063538
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 55890396) is 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(c1cnc(Cl)c(Cl)c1)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DCJCRXXONSVFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F2N3O/c19-14-7-11(9-24-17(14)20)18(26)25(10-13-3-1-2-6-23-13)16-5-4-12(21)8-15(16)22/h1-9H,10H2.
What are the key properties of 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 394.21 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55890396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).