5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C18H14BrClN4O — CID 10180253

IUPAC5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Br)cnc1NCc1ccncc1
InChIInChI=1S/C18H14BrClN4O/c19-13-9-16(18(25)24-15-3-1-14(20)2-4-15)17(23-11-13)22-10-12-5-7-21-8-6-12/h1-9,11H,10H2,(H,22,23)(H,24,25)
InChIKeyGPFCIUJVYMETBL-UHFFFAOYSA-N
MW417.69 g/mol
LogP4.76
Rot. Bonds5

About 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10180253) has the molecular formula C18H14BrClN4O and a molecular weight of 417.69 g/mol. Its IUPAC name is 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10180253
Molecular FormulaC18H14BrClN4O
Molecular Weight417.69 g/mol
Exact Mass416.00
IUPAC Name5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Br)cnc1NCc1ccncc1
InChIInChI=1S/C18H14BrClN4O/c19-13-9-16(18(25)24-15-3-1-14(20)2-4-15)17(23-11-13)22-10-12-5-7-21-8-6-12/h1-9,11H,10H2,(H,22,23)(H,24,25)
InChIKeyGPFCIUJVYMETBL-UHFFFAOYSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.69
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10180253) is 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(Br)cnc1NCc1ccncc1.
What is the InChIKey of 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is GPFCIUJVYMETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN4O/c19-13-9-16(18(25)24-15-3-1-14(20)2-4-15)17(23-11-13)22-10-12-5-7-21-8-6-12/h1-9,11H,10H2,(H,22,23)(H,24,25).
What are the key properties of 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 417.69 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10180253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).